From mailer@bialko.llnl.gov Mon Aug 19 22:04:18 2002 Date: Mon, 19 Aug 2002 22:04:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Aug 19 21:36:15 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_496094_28436 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0191SS007_1 Current information on models submitted in prediction T0191SS007 MODEL_INDEX PIN CODE DATE E-mail T0191SS007_1 PIN_496094_28436 6269-7633-6117 08/19/02 21:36:15 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0191 MODEL_INDEX PIN CODE DATE E-mail T0191SS007_1 PIN_496094_28436 6269-7633-6117 08/19/02 21:36:15 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format SS PFRMAT SS TARGET T0191 AUTHOR 6269-7633-6117 # Reading MODEL 1 # Reading prediction format SS (DONE) # Checking the SS prediction MODEL 1 # Checking the SS prediction MODEL 1 (DONE) # MODEL index: 1 # Total number of residues in model: 282 # Number of residues with nonzero confidence: 282 # Number of METHOD records: 42 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0191 AUTHOR 6269-7633-6117 METHOD CAFASP METHOD samt99 METHOD This prediction was derived from the following methods METHOD by averaging the corresponding probabilities: METHOD Method 0: METHOD TARGET seed-seqs-18129.a2m(1) METHOD Using neural net overrep-2500-IDaa13-5-9-7-10-5-9-11-ehl2-seeded2-stride-trained.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 9 METHOD 7 10 METHOD 5 9 METHOD 11 3 (1 EHL2 ) METHOD The input amino acid frequencies were determined from METHOD alignment /var/tmp/hmm-target99-work-9999//target-align-9999.a2m METHOD with weighted counts, using EntropyWeight(1.4 bits/column, 10) METHOD The weighting was determined by the posterior distribution METHOD after regularizing with /projects/compbio/lib/recode3.20comp. METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 201.833 METHOD METHOD CHAIN 1 METHOD Method 1: METHOD Prediction using SAM HMM nearest-neighbor METHOD sequence: seed-seqs-18129.a2m(1) METHOD model_file: /projects/compbio/tmp/sam-nn-tmp.cc84.17155/model.mod METHOD database_files: /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.seq /projects/compbio/programs/hmm-server-2.0/src/pcc/data/overrep-2260.verify.mixed.2d METHOD scoring_mode: local METHOD null_model: reverse METHOD scoring_algorithm: EM METHOD adjust_score: 2 METHOD date: Sat Aug 17 12:24:39 2002 METHOD Method 2: METHOD ###begin 0 METHOD METHOD Protein secondary structure prediction by universal HMM METHOD HMM file: /projects/compbio/programs/hmm-server-2.0/src/pcc/scripts/gdac.test.initreest.38state.abb.isites.gd.updated.ghmm-128reest-1-128-105-0.07gd METHOD Alignment file: /var/tmp/hmm-target99-work-9999//target-align-9999.a2m METHOD METHOD guide seq name: seed-seqs-18129.a2m(1), 282 bases, A0009210 checksum. METHOD ###end 0 MODEL 1 M C 0.571 I C 0.48 N C 0.47 A C 0.574 K C 0.539 T C 0.45 K E 0.392 V E 0.475 I E 0.524 G E 0.532 L E 0.539 I E 0.48 G C 0.507 H C 0.656 P C 0.68 V C 0.578 E C 0.578 H C 0.562 S C 0.605 F C 0.625 S C 0.693 P H 0.577 I H 0.608 M H 0.619 H H 0.625 N H 0.65 A H 0.672 A H 0.667 F H 0.673 K H 0.663 D H 0.648 K H 0.549 G C 0.666 L C 0.659 N C 0.629 Y C 0.391 V E 0.527 Y E 0.571 V E 0.562 A E 0.533 F E 0.484 D C 0.406 V C 0.527 L C 0.665 P H 0.525 E H 0.593 N H 0.613 L H 0.675 K H 0.696 Y H 0.705 V H 0.715 I H 0.72 D H 0.712 G H 0.698 A H 0.68 K H 0.652 A H 0.612 L H 0.484 G C 0.599 I C 0.592 V C 0.579 G C 0.562 F C 0.511 N C 0.504 V E 0.522 T E 0.473 I C 0.564 P C 0.582 H H 0.441 K H 0.564 I H 0.602 E H 0.619 I H 0.619 M H 0.623 K H 0.643 Y H 0.634 L H 0.651 D H 0.648 E H 0.662 I H 0.665 D H 0.649 K H 0.705 D H 0.719 A H 0.72 Q H 0.71 L H 0.694 I H 0.667 G H 0.618 A H 0.575 V H 0.563 N H 0.469 T H 0.436 I E 0.404 K E 0.455 I E 0.378 E C 0.518 D C 0.634 G C 0.614 K C 0.43 A E 0.427 I C 0.405 G C 0.527 Y C 0.553 N C 0.543 T C 0.492 D H 0.442 G H 0.563 I H 0.616 G H 0.636 A H 0.655 R H 0.683 M H 0.695 A H 0.699 L H 0.713 E H 0.698 E H 0.668 E H 0.585 I C 0.497 G C 0.578 R C 0.604 V C 0.607 K C 0.63 D C 0.633 K C 0.561 N E 0.564 I E 0.712 V E 0.743 I E 0.738 Y E 0.655 G C 0.544 A C 0.624 G C 0.498 G H 0.599 A H 0.669 A H 0.703 R H 0.736 A H 0.748 V H 0.756 A H 0.775 F H 0.778 E H 0.774 L H 0.769 A H 0.744 K H 0.711 D H 0.512 N C 0.648 N C 0.532 I E 0.609 I E 0.698 I E 0.69 A E 0.604 N C 0.428 R C 0.593 T C 0.66 V H 0.711 E H 0.741 K H 0.766 A H 0.794 E H 0.803 A H 0.804 L H 0.799 A H 0.792 K H 0.775 E H 0.748 I H 0.642 A C 0.491 E C 0.47 K C 0.485 L C 0.524 N C 0.504 K C 0.416 K E 0.404 F E 0.462 G E 0.392 E C 0.399 E E 0.371 V C 0.447 K C 0.574 F H 0.613 S H 0.647 G H 0.658 L H 0.684 D H 0.695 V H 0.719 D H 0.688 L H 0.626 D H 0.511 G C 0.534 V C 0.576 D C 0.467 I E 0.657 I E 0.705 I E 0.688 N E 0.584 A C 0.471 T C 0.557 P C 0.638 I C 0.63 G C 0.638 M C 0.619 Y C 0.634 P C 0.613 N C 0.618 I C 0.521 D C 0.555 V C 0.485 E C 0.482 P H 0.432 I H 0.56 V H 0.543 K H 0.508 A H 0.655 E H 0.649 K H 0.626 L H 0.569 R H 0.453 E C 0.537 D C 0.586 M C 0.416 V E 0.565 V E 0.613 M E 0.582 D E 0.498 L E 0.441 I E 0.378 Y C 0.492 N C 0.644 P C 0.59 L C 0.528 E H 0.451 T H 0.487 V H 0.625 L H 0.663 L H 0.725 K H 0.744 E H 0.751 A H 0.74 K H 0.732 K H 0.721 V H 0.589 N C 0.616 A C 0.55 K E 0.411 T E 0.451 I C 0.377 N C 0.51 G C 0.445 L H 0.553 G H 0.601 M H 0.629 L H 0.629 I H 0.655 Y H 0.682 Q H 0.697 G H 0.706 A H 0.714 V H 0.718 A H 0.713 F H 0.7 K H 0.681 I H 0.663 W H 0.627 T H 0.562 G C 0.58 V C 0.58 E C 0.584 P C 0.589 N C 0.478 I H 0.637 E H 0.699 V H 0.72 M H 0.745 K H 0.768 N H 0.78 A H 0.785 I H 0.773 I H 0.875 D H 0.862 K H 0.796 I H 0.75 T H 0.625 K C 0.649 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 15:21:19 2002 Date: Fri, 23 Aug 2002 15:21:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0191 TS samt99.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 23 14:53:27 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_680893_32543 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0191TS007_1 Current information on models submitted in prediction T0191TS007 MODEL_INDEX PIN CODE DATE E-mail T0191TS007_1 PIN_680893_32543 6269-7633-6117 08/23/02 14:53:27 casp5@bialko.llnl.gov T0191TS007_3 PIN_663960_32541 6269-7633-6117 08/23/02 14:52:20 casp5@bialko.llnl.gov T0191TS007_4 PIN_656058_32539 6269-7633-6117 08/23/02 14:51:41 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0191 MODEL_INDEX PIN CODE DATE E-mail T0191TS007_1 PIN_680893_32543 6269-7633-6117 08/23/02 14:53:27 casp5@bialko.llnl.gov T0191TS007_3 PIN_663960_32541 6269-7633-6117 08/23/02 14:52:20 casp5@bialko.llnl.gov T0191TS007_4 PIN_656058_32539 6269-7633-6117 08/23/02 14:51:41 casp5@bialko.llnl.gov T0191SS007_1 PIN_496094_28436 6269-7633-6117 08/19/02 21:36:15 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0191 AUTHOR 6269-7633-6117 # Reading MODEL 1 PARENT 1GPJ_A # Loading PARENT structure: 1gpj (chain: A) # Number of residues in PARENT structure: 399 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue G 10 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue L 11 # IMPORTANT NOTE! Not complete main chain atoms for residue I 12 # IMPORTANT NOTE! Not complete main chain atoms for residue G 13 # IMPORTANT NOTE! Not complete main chain atoms for residue H 14 # IMPORTANT NOTE! Not complete main chain atoms for residue P 15 # IMPORTANT NOTE! Not complete main chain atoms for residue V 16 # IMPORTANT NOTE! Not complete main chain atoms for residue E 17 # IMPORTANT NOTE! Not complete main chain atoms for residue H 18 # IMPORTANT NOTE! Not complete main chain atoms for residue S 19 # IMPORTANT NOTE! Not complete main chain atoms for residue F 20 # IMPORTANT NOTE! Not complete main chain atoms for residue S 21 # IMPORTANT NOTE! Not complete main chain atoms for residue P 22 # IMPORTANT NOTE! Not complete main chain atoms for residue I 23 # IMPORTANT NOTE! Not complete main chain atoms for residue M 24 # IMPORTANT NOTE! Not complete main chain atoms for residue H 25 # IMPORTANT NOTE! Not complete main chain atoms for residue N 26 # IMPORTANT NOTE! Not complete main chain atoms for residue A 27 # IMPORTANT NOTE! Not complete main chain atoms for residue A 28 # IMPORTANT NOTE! Not complete main chain atoms for residue F 29 # IMPORTANT NOTE! Not complete main chain atoms for residue K 30 # IMPORTANT NOTE! Not complete main chain atoms for residue D 31 # IMPORTANT NOTE! Not complete main chain atoms for residue K 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue L 34 # IMPORTANT NOTE! Not complete main chain atoms for residue N 35 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 36 # IMPORTANT NOTE! Not complete main chain atoms for residue V 37 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 38 # IMPORTANT NOTE! Not complete main chain atoms for residue V 39 # IMPORTANT NOTE! Not complete main chain atoms for residue A 40 # IMPORTANT NOTE! Not complete main chain atoms for residue F 41 # IMPORTANT NOTE! Not complete main chain atoms for residue D 42 # IMPORTANT NOTE! Not complete main chain atoms for residue V 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 44 # IMPORTANT NOTE! Not complete main chain atoms for residue P 45 # IMPORTANT NOTE! Not complete main chain atoms for residue E 46 # IMPORTANT NOTE! Not complete main chain atoms for residue N 47 # IMPORTANT NOTE! Not complete main chain atoms for residue L 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 50 # IMPORTANT NOTE! Not complete main chain atoms for residue V 51 # IMPORTANT NOTE! Not complete main chain atoms for residue I 52 # IMPORTANT NOTE! Not complete main chain atoms for residue D 53 # IMPORTANT NOTE! Not complete main chain atoms for residue G 54 # IMPORTANT NOTE! Not complete main chain atoms for residue A 55 # IMPORTANT NOTE! Not complete main chain atoms for residue K 56 # IMPORTANT NOTE! Not complete main chain atoms for residue A 57 # IMPORTANT NOTE! Not complete main chain atoms for residue L 58 # IMPORTANT NOTE! Not complete main chain atoms for residue G 59 # IMPORTANT NOTE! Not complete main chain atoms for residue I 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue G 62 # IMPORTANT NOTE! Not complete main chain atoms for residue F 63 # IMPORTANT NOTE! Not complete main chain atoms for residue N 64 # IMPORTANT NOTE! Not complete main chain atoms for residue V 65 # IMPORTANT NOTE! Not complete main chain atoms for residue T 66 # IMPORTANT NOTE! Not complete main chain atoms for residue I 67 # IMPORTANT NOTE! Not complete main chain atoms for residue P 68 # IMPORTANT NOTE! Not complete main chain atoms for residue H 69 # IMPORTANT NOTE! Not complete main chain atoms for residue K 70 # IMPORTANT NOTE! Not complete main chain atoms for residue I 71 # IMPORTANT NOTE! Not complete main chain atoms for residue E 72 # IMPORTANT NOTE! Not complete main chain atoms for residue I 73 # IMPORTANT NOTE! Not complete main chain atoms for residue E 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue G 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # IMPORTANT NOTE! Not complete main chain atoms for residue A 100 # IMPORTANT NOTE! Not complete main chain atoms for residue I 101 # IMPORTANT NOTE! Not complete main chain atoms for residue G 102 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue D 106 # IMPORTANT NOTE! Not complete main chain atoms for residue G 107 # IMPORTANT NOTE! Not complete main chain atoms for residue I 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue A 110 # IMPORTANT NOTE! Not complete main chain atoms for residue R 111 # IMPORTANT NOTE! Not complete main chain atoms for residue M 112 # IMPORTANT NOTE! Not complete main chain atoms for residue A 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue E 115 # IMPORTANT NOTE! Not complete main chain atoms for residue E 116 # IMPORTANT NOTE! Not complete main chain atoms for residue E 117 # IMPORTANT NOTE! Not complete main chain atoms for residue I 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue R 120 # IMPORTANT NOTE! Not complete main chain atoms for residue V 121 # IMPORTANT NOTE! Not complete main chain atoms for residue K 122 # IMPORTANT NOTE! Not complete main chain atoms for residue D 123 # IMPORTANT NOTE! Not complete main chain atoms for residue K 124 # IMPORTANT NOTE! Not complete main chain atoms for residue N 125 # IMPORTANT NOTE! Not complete main chain atoms for residue I 126 # IMPORTANT NOTE! Not complete main chain atoms for residue V 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 129 # IMPORTANT NOTE! Not complete main chain atoms for residue G 130 # IMPORTANT NOTE! Not complete main chain atoms for residue A 131 # IMPORTANT NOTE! Not complete main chain atoms for residue G 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue R 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue F 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue L 142 # IMPORTANT NOTE! Not complete main chain atoms for residue A 143 # IMPORTANT NOTE! Not complete main chain atoms for residue K 144 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue N 147 # IMPORTANT NOTE! Not complete main chain atoms for residue I 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue I 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue N 152 # IMPORTANT NOTE! Not complete main chain atoms for residue R 153 # IMPORTANT NOTE! Not complete main chain atoms for residue T 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 156 # IMPORTANT NOTE! Not complete main chain atoms for residue K 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue A 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue E 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue F 179 # IMPORTANT NOTE! Not complete main chain atoms for residue S 180 # IMPORTANT NOTE! Not complete main chain atoms for residue G 181 # IMPORTANT NOTE! Not complete main chain atoms for residue L 182 # IMPORTANT NOTE! Not complete main chain atoms for residue D 183 # IMPORTANT NOTE! Not complete main chain atoms for residue V 184 # IMPORTANT NOTE! Not complete main chain atoms for residue D 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue D 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue V 189 # IMPORTANT NOTE! Not complete main chain atoms for residue D 190 # IMPORTANT NOTE! Not complete main chain atoms for residue I 191 # IMPORTANT NOTE! Not complete main chain atoms for residue I 192 # IMPORTANT NOTE! Not complete main chain atoms for residue I 193 # IMPORTANT NOTE! Not complete main chain atoms for residue N 194 # IMPORTANT NOTE! Not complete main chain atoms for residue A 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue P 197 # IMPORTANT NOTE! Not complete main chain atoms for residue I 198 # IMPORTANT NOTE! Not complete main chain atoms for residue G 199 # IMPORTANT NOTE! Not complete main chain atoms for residue M 200 # IMPORTANT NOTE! Not complete main chain atoms for residue P 208 # IMPORTANT NOTE! Not complete main chain atoms for residue I 209 # IMPORTANT NOTE! Not complete main chain atoms for residue V 210 # IMPORTANT NOTE! Not complete main chain atoms for residue K 211 # IMPORTANT NOTE! Not complete main chain atoms for residue A 212 # IMPORTANT NOTE! Not complete main chain atoms for residue E 213 # IMPORTANT NOTE! Not complete main chain atoms for residue K 214 # IMPORTANT NOTE! Not complete main chain atoms for residue L 215 # IMPORTANT NOTE! Not complete main chain atoms for residue R 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue D 218 # IMPORTANT NOTE! Not complete main chain atoms for residue M 219 # IMPORTANT NOTE! Not complete main chain atoms for residue V 220 # IMPORTANT NOTE! Not complete main chain atoms for residue V 221 # IMPORTANT NOTE! Not complete main chain atoms for residue M 222 # IMPORTANT NOTE! Not complete main chain atoms for residue D 223 # IMPORTANT NOTE! Not complete main chain atoms for residue L 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 226 # IMPORTANT NOTE! Not complete main chain atoms for residue N 227 # IMPORTANT NOTE! Not complete main chain atoms for residue P 228 # IMPORTANT NOTE! Not complete main chain atoms for residue L 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue T 231 # IMPORTANT NOTE! Not complete main chain atoms for residue V 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue L 234 # IMPORTANT NOTE! Not complete main chain atoms for residue K 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue A 237 # IMPORTANT NOTE! Not complete main chain atoms for residue K 238 # IMPORTANT NOTE! Not complete main chain atoms for residue K 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue N 241 # IMPORTANT NOTE! Not complete main chain atoms for residue A 242 # IMPORTANT NOTE! Not complete main chain atoms for residue K 243 # IMPORTANT NOTE! Not complete main chain atoms for residue T 244 # IMPORTANT NOTE! Not complete main chain atoms for residue I 245 # IMPORTANT NOTE! Not complete main chain atoms for residue N 246 # IMPORTANT NOTE! Not complete main chain atoms for residue G 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue G 249 # IMPORTANT NOTE! Not complete main chain atoms for residue M 250 # IMPORTANT NOTE! Not complete main chain atoms for residue L 251 # IMPORTANT NOTE! Not complete main chain atoms for residue I 252 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 253 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 254 # IMPORTANT NOTE! Not complete main chain atoms for residue G 255 # IMPORTANT NOTE! Not complete main chain atoms for residue A 256 # IMPORTANT NOTE! Not complete main chain atoms for residue V 257 # IMPORTANT NOTE! Not complete main chain atoms for residue A 258 # IMPORTANT NOTE! Not complete main chain atoms for residue F 259 # IMPORTANT NOTE! Not complete main chain atoms for residue K 260 # IMPORTANT NOTE! Not complete main chain atoms for residue I 261 # IMPORTANT NOTE! Not complete main chain atoms for residue W 262 # IMPORTANT NOTE! Not complete main chain atoms for residue T 263 # IMPORTANT NOTE! Not complete main chain atoms for residue G 264 # IMPORTANT NOTE! Not complete main chain atoms for residue V 265 # IMPORTANT NOTE! Not complete main chain atoms for residue E 266 # IMPORTANT NOTE! Not complete main chain atoms for residue P 267 # IMPORTANT NOTE! Not complete main chain atoms for residue N 268 # IMPORTANT NOTE! Not complete main chain atoms for residue I 269 # IMPORTANT NOTE! Not complete main chain atoms for residue E 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue M 272 # IMPORTANT NOTE! Not complete main chain atoms for residue K 273 # IMPORTANT NOTE! Not complete main chain atoms for residue N 274 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0191 # Total number of residues in target: 282 # Total number of residues in model: 225 # Total number of atoms in model: 225 # Number of atoms with 1.0 occupancy: 225 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 225 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0191 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 1 PARENT 1GPJ_A ATOM 3 CA GLY 10 52.738 53.443 35.345 1.00 1.00 ATOM 4 CA LEU 11 55.472 54.491 37.768 1.00 1.00 ATOM 5 CA ILE 12 55.997 53.344 41.323 1.00 1.00 ATOM 6 CA GLY 13 58.544 54.271 43.953 1.00 1.00 ATOM 7 CA HIS 14 59.429 51.955 46.824 1.00 1.00 ATOM 8 CA PRO 15 61.811 52.663 49.696 1.00 1.00 ATOM 9 CA VAL 16 62.913 53.370 53.253 1.00 1.00 ATOM 10 CA GLU 17 64.697 56.525 54.364 1.00 1.00 ATOM 11 CA HIS 18 66.175 58.236 57.365 1.00 1.00 ATOM 12 CA SER 19 62.834 60.112 57.679 1.00 1.00 ATOM 13 CA PHE 20 61.235 56.913 58.992 1.00 1.00 ATOM 14 CA SER 21 64.061 54.474 59.792 1.00 1.00 ATOM 15 CA PRO 22 67.261 54.369 61.807 1.00 1.00 ATOM 68 CA ILE 23 63.066 43.233 49.013 1.00 1.00 ATOM 69 CA MET 24 63.814 46.586 50.493 1.00 1.00 ATOM 70 CA HIS 25 62.197 46.227 53.906 1.00 1.00 ATOM 71 CA ASN 26 58.974 45.249 55.780 1.00 1.00 ATOM 72 CA ALA 27 58.255 48.942 56.499 1.00 1.00 ATOM 73 CA ALA 28 59.320 50.226 53.021 1.00 1.00 ATOM 74 CA PHE 29 56.763 52.634 51.709 1.00 1.00 ATOM 75 CA LYS 30 55.198 52.506 48.274 1.00 1.00 ATOM 76 CA ASP 31 54.430 55.566 46.142 1.00 1.00 ATOM 77 CA LYS 32 52.503 55.564 42.868 1.00 1.00 ATOM 78 CA GLY 33 52.335 57.957 39.942 1.00 1.00 ATOM 79 CA LEU 34 52.393 61.653 40.797 1.00 1.00 ATOM 80 CA ASN 35 53.399 61.001 44.435 1.00 1.00 ATOM 81 CA TYR 36 56.329 58.845 43.345 1.00 1.00 ATOM 82 CA VAL 37 57.628 61.528 40.981 1.00 1.00 ATOM 83 CA TYR 38 56.964 64.227 43.565 1.00 1.00 ATOM 84 CA VAL 39 59.135 62.351 46.100 1.00 1.00 ATOM 85 CA ALA 40 61.933 62.079 43.483 1.00 1.00 ATOM 86 CA PHE 41 61.677 65.804 42.767 1.00 1.00 ATOM 87 CA ASP 42 61.860 66.491 46.530 1.00 1.00 ATOM 88 CA VAL 43 64.948 64.227 46.868 1.00 1.00 ATOM 89 CA LEU 44 66.800 65.846 43.936 1.00 1.00 ATOM 90 CA PRO 45 65.948 69.313 45.206 1.00 1.00 ATOM 91 CA GLU 46 67.487 68.528 48.568 1.00 1.00 ATOM 92 CA ASN 47 64.207 68.629 50.506 1.00 1.00 ATOM 106 CA LEU 48 70.477 61.091 41.766 1.00 1.00 ATOM 107 CA LYS 49 72.563 61.689 38.610 1.00 1.00 ATOM 108 CA TYR 50 74.760 58.647 39.429 1.00 1.00 ATOM 109 CA VAL 51 71.669 56.543 39.955 1.00 1.00 ATOM 110 CA ILE 52 70.487 57.687 36.464 1.00 1.00 ATOM 111 CA ASP 53 73.883 56.842 34.888 1.00 1.00 ATOM 112 CA GLY 54 74.170 53.434 36.510 1.00 1.00 ATOM 113 CA ALA 55 70.758 52.540 35.129 1.00 1.00 ATOM 114 CA LYS 56 71.740 53.928 31.720 1.00 1.00 ATOM 115 CA ALA 57 74.773 51.758 31.608 1.00 1.00 ATOM 116 CA LEU 58 73.093 48.524 32.792 1.00 1.00 ATOM 117 CA GLY 59 70.199 48.914 30.372 1.00 1.00 ATOM 118 CA ILE 60 67.396 49.374 32.948 1.00 1.00 ATOM 119 CA VAL 61 66.228 52.777 31.712 1.00 1.00 ATOM 120 CA GLY 62 63.061 53.215 29.645 1.00 1.00 ATOM 121 CA PHE 63 61.813 56.416 27.995 1.00 1.00 ATOM 122 CA ASN 64 59.541 57.171 30.907 1.00 1.00 ATOM 123 CA VAL 65 62.271 57.034 33.572 1.00 1.00 ATOM 124 CA THR 66 64.499 59.043 31.280 1.00 1.00 ATOM 125 CA ILE 67 61.886 61.818 31.182 1.00 1.00 ATOM 126 CA PRO 68 61.313 61.772 34.964 1.00 1.00 ATOM 127 CA HIS 69 64.961 61.572 35.996 1.00 1.00 ATOM 128 CA LYS 70 66.080 64.116 33.432 1.00 1.00 ATOM 129 CA ILE 71 63.505 66.510 34.768 1.00 1.00 ATOM 130 CA GLU 72 64.363 65.662 38.335 1.00 1.00 ATOM 131 CA ILE 73 68.012 66.498 37.677 1.00 1.00 ATOM 132 CA GLU 96 67.357 69.769 35.895 1.00 1.00 ATOM 133 CA ASP 97 64.975 70.727 38.680 1.00 1.00 ATOM 134 CA GLY 98 67.508 70.150 41.495 1.00 1.00 ATOM 135 CA LYS 99 69.884 72.487 39.603 1.00 1.00 ATOM 136 CA ALA 100 67.190 75.157 39.109 1.00 1.00 ATOM 137 CA ILE 101 65.968 75.008 42.692 1.00 1.00 ATOM 138 CA GLY 102 69.495 75.596 43.930 1.00 1.00 ATOM 139 CA TYR 103 70.019 78.487 41.483 1.00 1.00 ATOM 140 CA ASN 104 66.646 80.212 41.842 1.00 1.00 ATOM 141 CA THR 105 66.297 79.834 45.583 1.00 1.00 ATOM 142 CA ASP 106 68.538 79.918 48.608 1.00 1.00 ATOM 143 CA GLY 107 67.861 76.260 49.578 1.00 1.00 ATOM 152 CA ILE 108 81.977 74.480 55.675 1.00 1.00 ATOM 153 CA GLY 109 81.258 76.591 58.767 1.00 1.00 ATOM 154 CA ALA 110 85.010 76.835 59.455 1.00 1.00 ATOM 155 CA ARG 111 85.476 78.152 55.937 1.00 1.00 ATOM 156 CA MET 112 82.783 80.825 56.462 1.00 1.00 ATOM 157 CA ALA 113 84.323 81.778 59.757 1.00 1.00 ATOM 158 CA LEU 114 87.870 81.897 58.297 1.00 1.00 ATOM 159 CA GLU 115 86.751 83.984 55.402 1.00 1.00 ATOM 160 CA GLU 116 84.997 86.437 57.694 1.00 1.00 ATOM 161 CA GLU 117 87.992 86.633 60.084 1.00 1.00 ATOM 162 CA ILE 118 90.761 86.619 57.593 1.00 1.00 ATOM 163 CA GLY 119 89.449 87.353 54.119 1.00 1.00 ATOM 164 CA ARG 120 90.586 85.431 51.077 1.00 1.00 ATOM 165 CA VAL 121 92.177 82.159 52.124 1.00 1.00 ATOM 166 CA LYS 122 94.092 81.410 48.866 1.00 1.00 ATOM 167 CA ASP 123 97.405 82.799 50.133 1.00 1.00 ATOM 168 CA LYS 124 96.989 81.633 53.743 1.00 1.00 ATOM 169 CA ASN 125 98.806 78.839 55.578 1.00 1.00 ATOM 170 CA ILE 126 96.908 76.330 57.670 1.00 1.00 ATOM 171 CA VAL 127 98.472 74.667 60.726 1.00 1.00 ATOM 172 CA ILE 128 96.835 71.436 61.828 1.00 1.00 ATOM 173 CA TYR 129 97.791 70.204 65.303 1.00 1.00 ATOM 174 CA GLY 130 96.619 66.721 66.183 1.00 1.00 ATOM 175 CA ALA 131 94.609 63.987 64.494 1.00 1.00 ATOM 176 CA GLY 132 91.070 64.298 65.926 1.00 1.00 ATOM 177 CA GLY 133 88.573 63.452 63.150 1.00 1.00 ATOM 178 CA ALA 134 86.646 66.708 63.350 1.00 1.00 ATOM 179 CA ALA 135 90.057 68.425 62.946 1.00 1.00 ATOM 180 CA ARG 136 90.679 66.413 59.790 1.00 1.00 ATOM 181 CA ALA 137 87.224 67.422 58.493 1.00 1.00 ATOM 182 CA VAL 138 87.870 71.118 59.083 1.00 1.00 ATOM 183 CA ALA 139 91.292 70.990 57.454 1.00 1.00 ATOM 184 CA PHE 140 89.955 69.175 54.342 1.00 1.00 ATOM 185 CA GLU 141 87.249 71.879 53.927 1.00 1.00 ATOM 186 CA LEU 142 89.872 74.615 54.169 1.00 1.00 ATOM 187 CA ALA 143 92.018 72.771 51.632 1.00 1.00 ATOM 188 CA LYS 144 89.026 72.325 49.283 1.00 1.00 ATOM 191 CA ASN 146 94.842 77.686 50.773 1.00 1.00 ATOM 192 CA ASN 147 98.559 78.113 50.015 1.00 1.00 ATOM 194 CA ILE 148 99.120 73.148 55.155 1.00 1.00 ATOM 195 CA ILE 149 101.534 72.308 58.010 1.00 1.00 ATOM 196 CA ILE 150 100.729 69.219 60.082 1.00 1.00 ATOM 197 CA ALA 151 102.034 68.529 63.585 1.00 1.00 ATOM 198 CA ASN 152 101.379 65.720 66.047 1.00 1.00 ATOM 199 CA ARG 153 102.977 64.468 69.283 1.00 1.00 ATOM 200 CA THR 154 103.678 61.286 67.249 1.00 1.00 ATOM 201 CA VAL 155 105.521 62.293 64.071 1.00 1.00 ATOM 202 CA GLU 156 104.203 59.357 62.139 1.00 1.00 ATOM 203 CA LYS 157 100.551 60.395 62.770 1.00 1.00 ATOM 204 CA ALA 158 101.591 63.733 61.185 1.00 1.00 ATOM 205 CA GLU 159 103.227 62.222 58.136 1.00 1.00 ATOM 206 CA ALA 160 100.030 60.289 57.590 1.00 1.00 ATOM 207 CA LEU 161 97.654 63.245 57.797 1.00 1.00 ATOM 208 CA ALA 162 99.884 65.588 55.816 1.00 1.00 ATOM 209 CA LYS 163 99.820 62.977 53.071 1.00 1.00 ATOM 210 CA GLU 164 96.026 62.971 53.158 1.00 1.00 ATOM 211 CA ILE 165 95.807 66.719 53.079 1.00 1.00 ATOM 212 CA ALA 166 98.557 67.268 50.511 1.00 1.00 ATOM 213 CA VAL 177 100.532 69.189 53.140 1.00 1.00 ATOM 214 CA LYS 178 103.845 69.066 54.982 1.00 1.00 ATOM 215 CA PHE 179 104.526 67.160 58.170 1.00 1.00 ATOM 216 CA SER 180 106.429 69.344 60.630 1.00 1.00 ATOM 217 CA GLY 181 108.006 68.790 64.023 1.00 1.00 ATOM 218 CA LEU 182 105.820 69.268 67.055 1.00 1.00 ATOM 219 CA ASP 183 108.652 70.901 69.012 1.00 1.00 ATOM 220 CA VAL 184 108.964 73.645 66.460 1.00 1.00 ATOM 221 CA ASP 185 105.344 74.790 67.202 1.00 1.00 ATOM 225 CA LEU 186 102.479 79.553 64.594 1.00 1.00 ATOM 226 CA ASP 187 104.600 82.404 63.372 1.00 1.00 ATOM 227 CA GLY 188 104.000 81.396 59.791 1.00 1.00 ATOM 228 CA VAL 189 100.372 80.311 59.998 1.00 1.00 ATOM 229 CA ASP 190 97.079 82.180 59.628 1.00 1.00 ATOM 230 CA ILE 191 94.581 79.532 60.563 1.00 1.00 ATOM 231 CA ILE 192 95.308 76.939 63.266 1.00 1.00 ATOM 232 CA ILE 193 93.154 73.854 63.610 1.00 1.00 ATOM 233 CA ASN 194 93.860 72.173 66.922 1.00 1.00 ATOM 234 CA ALA 195 92.392 68.764 67.639 1.00 1.00 ATOM 235 CA THR 196 94.755 66.763 69.793 1.00 1.00 ATOM 236 CA PRO 197 93.731 63.562 71.533 1.00 1.00 ATOM 237 CA ILE 198 95.800 64.027 74.709 1.00 1.00 ATOM 238 CA GLY 199 94.150 66.006 77.516 1.00 1.00 ATOM 239 CA MET 200 96.823 68.667 77.808 1.00 1.00 ATOM 240 CA PRO 208 96.544 72.079 76.168 1.00 1.00 ATOM 241 CA ILE 209 98.992 72.484 73.265 1.00 1.00 ATOM 242 CA VAL 210 98.610 76.146 72.347 1.00 1.00 ATOM 243 CA LYS 211 99.992 78.362 75.097 1.00 1.00 ATOM 244 CA ALA 212 99.931 82.047 75.667 1.00 1.00 ATOM 245 CA GLU 213 103.754 82.273 75.781 1.00 1.00 ATOM 246 CA LYS 214 104.237 80.406 72.525 1.00 1.00 ATOM 247 CA LEU 215 101.720 82.626 70.666 1.00 1.00 ATOM 257 CA ARG 216 101.212 92.052 61.469 1.00 1.00 ATOM 258 CA GLU 217 98.251 89.923 60.205 1.00 1.00 ATOM 259 CA ASP 218 95.365 88.212 62.106 1.00 1.00 ATOM 260 CA MET 219 95.618 84.583 63.253 1.00 1.00 ATOM 261 CA VAL 220 92.489 82.463 63.640 1.00 1.00 ATOM 262 CA VAL 221 92.775 79.517 66.033 1.00 1.00 ATOM 263 CA MET 222 90.022 76.921 65.918 1.00 1.00 ATOM 264 CA ASP 223 89.977 74.772 69.041 1.00 1.00 ATOM 265 CA LEU 224 88.272 71.456 68.150 1.00 1.00 ATOM 266 CA ILE 225 89.427 69.478 71.249 1.00 1.00 ATOM 267 CA TYR 226 87.779 68.814 74.519 1.00 1.00 ATOM 268 CA ASN 227 89.222 69.347 76.909 1.00 1.00 ATOM 269 CA PRO 228 90.430 72.489 75.142 1.00 1.00 ATOM 270 CA LEU 229 93.697 72.582 73.230 1.00 1.00 ATOM 271 CA GLU 230 93.999 76.324 73.671 1.00 1.00 ATOM 272 CA THR 231 95.111 77.903 76.951 1.00 1.00 ATOM 273 CA VAL 232 92.682 80.413 78.431 1.00 1.00 ATOM 274 CA LEU 233 93.935 83.937 77.674 1.00 1.00 ATOM 275 CA LEU 234 95.291 83.180 74.185 1.00 1.00 ATOM 276 CA LYS 235 92.167 84.922 72.919 1.00 1.00 ATOM 277 CA GLU 236 93.287 88.230 74.485 1.00 1.00 ATOM 278 CA ALA 237 96.562 88.431 72.559 1.00 1.00 ATOM 279 CA LYS 238 96.397 91.214 70.030 1.00 1.00 ATOM 298 CA LYS 239 67.399 77.137 59.993 1.00 1.00 ATOM 299 CA VAL 240 67.634 79.751 57.203 1.00 1.00 ATOM 300 CA ASN 241 67.756 77.143 54.390 1.00 1.00 ATOM 301 CA ALA 242 64.623 75.531 55.844 1.00 1.00 ATOM 302 CA LYS 243 62.704 78.797 55.274 1.00 1.00 ATOM 303 CA THR 244 63.283 78.366 51.512 1.00 1.00 ATOM 304 CA ILE 245 61.434 75.030 51.430 1.00 1.00 ATOM 305 CA ASN 246 58.044 76.434 50.246 1.00 1.00 ATOM 306 CA GLY 247 59.595 78.265 47.327 1.00 1.00 ATOM 307 CA LEU 248 61.220 74.954 46.298 1.00 1.00 ATOM 308 CA GLY 249 57.928 73.087 46.762 1.00 1.00 ATOM 309 CA MET 250 56.246 75.606 44.367 1.00 1.00 ATOM 310 CA LEU 251 58.914 74.909 41.768 1.00 1.00 ATOM 311 CA ILE 252 58.209 71.209 42.232 1.00 1.00 ATOM 312 CA TYR 253 54.397 71.388 41.619 1.00 1.00 ATOM 313 CA GLN 254 55.106 73.421 38.476 1.00 1.00 ATOM 314 CA GLY 255 57.561 70.830 37.268 1.00 1.00 ATOM 315 CA ALA 256 55.160 67.992 38.061 1.00 1.00 ATOM 316 CA VAL 257 52.567 69.462 35.743 1.00 1.00 ATOM 317 CA ALA 258 55.211 69.709 33.011 1.00 1.00 ATOM 318 CA PHE 259 56.490 66.120 33.270 1.00 1.00 ATOM 319 CA LYS 260 52.907 64.943 33.506 1.00 1.00 ATOM 320 CA ILE 261 52.188 66.342 30.053 1.00 1.00 ATOM 321 CA TRP 262 55.568 64.896 28.883 1.00 1.00 ATOM 322 CA THR 263 54.657 61.434 29.940 1.00 1.00 ATOM 323 CA GLY 264 51.204 61.833 28.278 1.00 1.00 ATOM 324 CA VAL 265 52.812 62.789 24.917 1.00 1.00 ATOM 325 CA GLU 266 54.982 59.729 25.390 1.00 1.00 ATOM 326 CA PRO 267 52.011 57.433 25.830 1.00 1.00 ATOM 327 CA ASN 268 50.185 59.081 22.882 1.00 1.00 ATOM 328 CA ILE 269 53.241 58.343 20.765 1.00 1.00 ATOM 329 CA GLU 270 53.566 54.793 21.976 1.00 1.00 ATOM 330 CA VAL 271 49.763 54.278 21.678 1.00 1.00 ATOM 331 CA MET 272 49.610 55.254 17.958 1.00 1.00 ATOM 332 CA LYS 273 52.617 53.169 16.890 1.00 1.00 ATOM 333 CA ASN 274 51.179 49.982 18.410 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 15:22:08 2002 Date: Fri, 23 Aug 2002 15:22:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0191 TS samt99.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 23 14:53:49 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_677667_32544 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0191TS007_2 Current information on models submitted in prediction T0191TS007 MODEL_INDEX PIN CODE DATE E-mail T0191TS007_2 PIN_677667_32544 6269-7633-6117 08/23/02 14:53:49 casp5@bialko.llnl.gov T0191TS007_1 PIN_680893_32543 6269-7633-6117 08/23/02 14:53:27 casp5@bialko.llnl.gov T0191TS007_3 PIN_663960_32541 6269-7633-6117 08/23/02 14:52:20 casp5@bialko.llnl.gov T0191TS007_4 PIN_656058_32539 6269-7633-6117 08/23/02 14:51:41 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0191 MODEL_INDEX PIN CODE DATE E-mail T0191TS007_1 PIN_680893_32543 6269-7633-6117 08/23/02 14:53:27 casp5@bialko.llnl.gov T0191TS007_2 PIN_677667_32544 6269-7633-6117 08/23/02 14:53:49 casp5@bialko.llnl.gov T0191TS007_3 PIN_663960_32541 6269-7633-6117 08/23/02 14:52:20 casp5@bialko.llnl.gov T0191TS007_4 PIN_656058_32539 6269-7633-6117 08/23/02 14:51:41 casp5@bialko.llnl.gov T0191SS007_1 PIN_496094_28436 6269-7633-6117 08/19/02 21:36:15 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0191 AUTHOR 6269-7633-6117 # Reading MODEL 2 PARENT 1FF9_A # Loading PARENT structure: 1ff9 (chain: A) # Number of residues in PARENT structure: 447 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue K 122 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue D 123 # IMPORTANT NOTE! Not complete main chain atoms for residue K 124 # IMPORTANT NOTE! Not complete main chain atoms for residue N 125 # IMPORTANT NOTE! Not complete main chain atoms for residue I 126 # IMPORTANT NOTE! Not complete main chain atoms for residue V 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 129 # IMPORTANT NOTE! Not complete main chain atoms for residue G 130 # IMPORTANT NOTE! Not complete main chain atoms for residue A 131 # IMPORTANT NOTE! Not complete main chain atoms for residue G 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue R 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue F 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue L 142 # IMPORTANT NOTE! Not complete main chain atoms for residue A 143 # IMPORTANT NOTE! Not complete main chain atoms for residue K 144 # IMPORTANT NOTE! Not complete main chain atoms for residue D 145 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue N 147 # IMPORTANT NOTE! Not complete main chain atoms for residue I 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue I 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue N 152 # IMPORTANT NOTE! Not complete main chain atoms for residue R 153 # IMPORTANT NOTE! Not complete main chain atoms for residue T 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 156 # IMPORTANT NOTE! Not complete main chain atoms for residue K 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue A 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue E 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue E 175 # IMPORTANT NOTE! Not complete main chain atoms for residue E 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue F 179 # IMPORTANT NOTE! Not complete main chain atoms for residue S 180 # IMPORTANT NOTE! Not complete main chain atoms for residue G 181 # IMPORTANT NOTE! Not complete main chain atoms for residue L 182 # IMPORTANT NOTE! Not complete main chain atoms for residue D 183 # IMPORTANT NOTE! Not complete main chain atoms for residue V 184 # IMPORTANT NOTE! Not complete main chain atoms for residue D 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue D 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue V 189 # IMPORTANT NOTE! Not complete main chain atoms for residue D 190 # IMPORTANT NOTE! Not complete main chain atoms for residue I 191 # IMPORTANT NOTE! Not complete main chain atoms for residue I 192 # IMPORTANT NOTE! Not complete main chain atoms for residue I 193 # IMPORTANT NOTE! Not complete main chain atoms for residue N 194 # IMPORTANT NOTE! Not complete main chain atoms for residue A 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue P 197 # IMPORTANT NOTE! Not complete main chain atoms for residue D 205 # IMPORTANT NOTE! Not complete main chain atoms for residue V 206 # IMPORTANT NOTE! Not complete main chain atoms for residue E 207 # IMPORTANT NOTE! Not complete main chain atoms for residue P 208 # IMPORTANT NOTE! Not complete main chain atoms for residue I 209 # IMPORTANT NOTE! Not complete main chain atoms for residue V 210 # IMPORTANT NOTE! Not complete main chain atoms for residue K 211 # IMPORTANT NOTE! Not complete main chain atoms for residue A 212 # IMPORTANT NOTE! Not complete main chain atoms for residue E 213 # IMPORTANT NOTE! Not complete main chain atoms for residue K 214 # IMPORTANT NOTE! Not complete main chain atoms for residue R 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue D 218 # IMPORTANT NOTE! Not complete main chain atoms for residue M 219 # IMPORTANT NOTE! Not complete main chain atoms for residue V 220 # IMPORTANT NOTE! Not complete main chain atoms for residue V 221 # IMPORTANT NOTE! Not complete main chain atoms for residue M 222 # IMPORTANT NOTE! Not complete main chain atoms for residue D 223 # IMPORTANT NOTE! Not complete main chain atoms for residue L 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 226 # IMPORTANT NOTE! Not complete main chain atoms for residue N 227 # IMPORTANT NOTE! Not complete main chain atoms for residue P 228 # IMPORTANT NOTE! Not complete main chain atoms for residue L 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue T 231 # IMPORTANT NOTE! Not complete main chain atoms for residue V 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue L 234 # IMPORTANT NOTE! Not complete main chain atoms for residue K 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue A 237 # IMPORTANT NOTE! Not complete main chain atoms for residue K 238 # IMPORTANT NOTE! Not complete main chain atoms for residue K 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue N 241 # IMPORTANT NOTE! Not complete main chain atoms for residue A 242 # IMPORTANT NOTE! Not complete main chain atoms for residue K 243 # IMPORTANT NOTE! Not complete main chain atoms for residue T 244 # IMPORTANT NOTE! Not complete main chain atoms for residue I 245 # IMPORTANT NOTE! Not complete main chain atoms for residue N 246 # IMPORTANT NOTE! Not complete main chain atoms for residue G 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue G 249 # IMPORTANT NOTE! Not complete main chain atoms for residue M 250 # IMPORTANT NOTE! Not complete main chain atoms for residue L 251 # IMPORTANT NOTE! Not complete main chain atoms for residue I 252 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 253 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 254 # IMPORTANT NOTE! Not complete main chain atoms for residue G 255 # IMPORTANT NOTE! Not complete main chain atoms for residue A 256 # IMPORTANT NOTE! Not complete main chain atoms for residue V 257 # IMPORTANT NOTE! Not complete main chain atoms for residue A 258 # IMPORTANT NOTE! Not complete main chain atoms for residue F 259 # IMPORTANT NOTE! Not complete main chain atoms for residue K 260 # IMPORTANT NOTE! Not complete main chain atoms for residue I 261 # IMPORTANT NOTE! Not complete main chain atoms for residue W 262 # IMPORTANT NOTE! Not complete main chain atoms for residue T 263 # IMPORTANT NOTE! Not complete main chain atoms for residue G 264 # IMPORTANT NOTE! Not complete main chain atoms for residue V 265 # IMPORTANT NOTE! Not complete main chain atoms for residue E 266 # IMPORTANT NOTE! Not complete main chain atoms for residue P 267 # IMPORTANT NOTE! Not complete main chain atoms for residue N 268 # IMPORTANT NOTE! Not complete main chain atoms for residue I 269 # IMPORTANT NOTE! Not complete main chain atoms for residue E 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue M 272 # IMPORTANT NOTE! Not complete main chain atoms for residue K 273 # IMPORTANT NOTE! Not complete main chain atoms for residue N 274 # IMPORTANT NOTE! Not complete main chain atoms for residue A 275 # IMPORTANT NOTE! Not complete main chain atoms for residue I 276 # IMPORTANT NOTE! Not complete main chain atoms for residue I 277 # IMPORTANT NOTE! Not complete main chain atoms for residue D 278 # IMPORTANT NOTE! Not complete main chain atoms for residue K 279 # IMPORTANT NOTE! Not complete main chain atoms for residue I 280 # IMPORTANT NOTE! Not complete main chain atoms for residue T 281 # IMPORTANT NOTE! Not complete main chain atoms for residue K 282 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0191 # Total number of residues in target: 282 # Total number of residues in model: 144 # Total number of atoms in model: 144 # Number of atoms with 1.0 occupancy: 144 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 144 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0191 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 2 PARENT 1FF9_A ATOM 2 CA LYS 122 57.282 77.817 35.392 1.00 1.00 ATOM 3 CA ASP 123 59.851 77.558 32.589 1.00 1.00 ATOM 4 CA LYS 124 60.804 73.903 32.940 1.00 1.00 ATOM 5 CA ASN 125 64.222 72.665 31.810 1.00 1.00 ATOM 6 CA ILE 126 65.402 69.166 30.919 1.00 1.00 ATOM 7 CA VAL 127 68.774 67.414 30.746 1.00 1.00 ATOM 8 CA ILE 128 68.901 65.263 27.625 1.00 1.00 ATOM 9 CA TYR 129 71.454 62.477 27.536 1.00 1.00 ATOM 10 CA GLY 130 72.386 61.068 24.164 1.00 1.00 ATOM 11 CA ALA 131 74.180 61.860 20.938 1.00 1.00 ATOM 12 CA GLY 132 72.040 59.738 18.678 1.00 1.00 ATOM 13 CA GLY 133 69.400 59.176 16.030 1.00 1.00 ATOM 14 CA ALA 134 66.327 59.809 18.170 1.00 1.00 ATOM 15 CA ALA 135 67.533 62.943 19.962 1.00 1.00 ATOM 16 CA ARG 136 66.362 65.443 17.308 1.00 1.00 ATOM 17 CA ALA 137 62.595 64.817 17.280 1.00 1.00 ATOM 18 CA VAL 138 62.610 64.781 21.073 1.00 1.00 ATOM 19 CA ALA 139 64.609 68.028 21.151 1.00 1.00 ATOM 20 CA PHE 140 62.419 69.706 18.528 1.00 1.00 ATOM 21 CA GLU 141 59.156 68.821 20.277 1.00 1.00 ATOM 22 CA LEU 142 60.341 69.935 23.704 1.00 1.00 ATOM 24 CA ALA 143 58.871 73.957 20.466 1.00 1.00 ATOM 25 CA LYS 144 56.866 73.737 23.678 1.00 1.00 ATOM 26 CA ASP 145 58.972 76.362 25.453 1.00 1.00 ATOM 27 CA ASN 146 60.879 73.722 27.410 1.00 1.00 ATOM 28 CA ASN 147 64.604 74.431 27.686 1.00 1.00 ATOM 29 CA ILE 148 66.904 71.508 26.963 1.00 1.00 ATOM 30 CA ILE 149 70.598 71.164 27.690 1.00 1.00 ATOM 31 CA ILE 150 71.967 68.471 25.383 1.00 1.00 ATOM 32 CA ALA 151 74.762 66.496 26.997 1.00 1.00 ATOM 33 CA ASN 152 77.220 64.261 25.187 1.00 1.00 ATOM 34 CA ARG 153 80.703 63.075 26.126 1.00 1.00 ATOM 35 CA THR 154 81.970 65.632 23.600 1.00 1.00 ATOM 36 CA VAL 155 80.955 69.278 23.291 1.00 1.00 ATOM 37 CA GLU 156 81.114 68.908 19.494 1.00 1.00 ATOM 38 CA LYS 157 78.613 66.050 19.527 1.00 1.00 ATOM 39 CA ALA 158 76.299 68.207 21.621 1.00 1.00 ATOM 40 CA GLU 159 76.987 71.307 19.511 1.00 1.00 ATOM 41 CA ALA 160 75.934 69.237 16.502 1.00 1.00 ATOM 42 CA LEU 161 72.606 67.847 17.731 1.00 1.00 ATOM 43 CA ALA 162 71.718 71.339 18.985 1.00 1.00 ATOM 44 CA LYS 163 72.909 73.883 16.416 1.00 1.00 ATOM 45 CA GLU 164 70.194 76.355 15.474 1.00 1.00 ATOM 46 CA ILE 165 67.699 74.908 17.937 1.00 1.00 ATOM 47 CA GLU 175 66.012 77.498 20.145 1.00 1.00 ATOM 48 CA GLU 176 66.038 77.041 23.918 1.00 1.00 ATOM 49 CA VAL 177 68.802 74.425 23.756 1.00 1.00 ATOM 50 CA LYS 178 72.273 74.378 25.299 1.00 1.00 ATOM 51 CA PHE 179 75.042 71.888 24.517 1.00 1.00 ATOM 52 CA SER 180 77.563 70.641 27.081 1.00 1.00 ATOM 53 CA GLY 181 80.227 68.005 27.628 1.00 1.00 ATOM 54 CA LEU 182 79.399 65.696 30.510 1.00 1.00 ATOM 55 CA ASP 183 80.772 62.405 31.817 1.00 1.00 ATOM 56 CA VAL 184 77.707 60.433 32.851 1.00 1.00 ATOM 65 CA ASP 185 74.121 68.798 36.331 1.00 1.00 ATOM 66 CA LEU 186 70.963 66.798 37.104 1.00 1.00 ATOM 67 CA ASP 187 70.132 69.170 39.975 1.00 1.00 ATOM 68 CA GLY 188 70.004 72.099 37.541 1.00 1.00 ATOM 69 CA VAL 189 67.003 70.642 35.694 1.00 1.00 ATOM 70 CA ASP 190 63.536 69.315 36.460 1.00 1.00 ATOM 71 CA ILE 191 63.909 66.040 34.579 1.00 1.00 ATOM 72 CA ILE 192 66.628 63.931 32.961 1.00 1.00 ATOM 73 CA ILE 193 66.030 62.097 29.669 1.00 1.00 ATOM 74 CA ASN 194 68.185 59.051 28.992 1.00 1.00 ATOM 75 CA ALA 195 68.347 58.045 25.330 1.00 1.00 ATOM 76 CA THR 196 71.918 56.790 25.796 1.00 1.00 ATOM 77 CA PRO 197 72.954 53.161 26.484 1.00 1.00 ATOM 80 CA ASP 205 74.110 53.726 32.196 1.00 1.00 ATOM 81 CA VAL 206 70.423 53.531 33.106 1.00 1.00 ATOM 82 CA GLU 207 70.579 52.565 36.802 1.00 1.00 ATOM 83 CA PRO 208 73.382 55.078 37.339 1.00 1.00 ATOM 84 CA ILE 209 71.248 57.838 35.854 1.00 1.00 ATOM 85 CA VAL 210 68.300 56.823 37.996 1.00 1.00 ATOM 86 CA LYS 211 70.406 56.802 41.182 1.00 1.00 ATOM 87 CA ALA 212 71.544 60.379 40.478 1.00 1.00 ATOM 88 CA GLU 213 67.935 61.408 39.816 1.00 1.00 ATOM 89 CA LYS 214 66.987 59.830 43.134 1.00 1.00 ATOM 90 CA ARG 216 69.656 61.745 45.092 1.00 1.00 ATOM 91 CA GLU 217 68.715 65.018 43.361 1.00 1.00 ATOM 92 CA ASP 218 64.989 64.246 43.457 1.00 1.00 ATOM 93 CA MET 219 64.433 64.918 39.762 1.00 1.00 ATOM 94 CA VAL 220 62.211 62.954 37.388 1.00 1.00 ATOM 95 CA VAL 221 63.381 60.568 34.685 1.00 1.00 ATOM 96 CA MET 222 62.181 59.408 31.258 1.00 1.00 ATOM 97 CA ASP 223 63.862 56.658 29.227 1.00 1.00 ATOM 98 CA LEU 224 63.018 54.631 26.140 1.00 1.00 ATOM 99 CA ILE 225 64.519 51.447 27.577 1.00 1.00 ATOM 100 CA TYR 226 63.147 48.344 29.259 1.00 1.00 ATOM 101 CA ASN 227 62.800 48.291 33.017 1.00 1.00 ATOM 102 CA PRO 228 65.703 46.074 34.111 1.00 1.00 ATOM 103 CA LEU 229 66.135 44.298 37.461 1.00 1.00 ATOM 104 CA GLU 230 68.537 47.029 38.600 1.00 1.00 ATOM 105 CA THR 231 66.066 49.748 37.596 1.00 1.00 ATOM 106 CA VAL 232 63.160 48.011 39.395 1.00 1.00 ATOM 107 CA LEU 233 65.349 47.607 42.473 1.00 1.00 ATOM 108 CA LEU 234 65.265 51.412 42.788 1.00 1.00 ATOM 109 CA LYS 235 61.466 51.556 42.679 1.00 1.00 ATOM 110 CA GLU 236 61.016 52.092 46.432 1.00 1.00 ATOM 111 CA ALA 237 63.866 54.621 46.645 1.00 1.00 ATOM 112 CA LYS 238 62.339 56.522 43.716 1.00 1.00 ATOM 113 CA LYS 239 58.978 56.674 45.482 1.00 1.00 ATOM 114 CA VAL 240 60.623 57.925 48.685 1.00 1.00 ATOM 115 CA ASN 241 62.326 60.720 46.761 1.00 1.00 ATOM 116 CA ALA 242 58.955 61.531 45.245 1.00 1.00 ATOM 117 CA LYS 243 60.051 61.144 41.624 1.00 1.00 ATOM 118 CA THR 244 58.645 59.556 38.474 1.00 1.00 ATOM 119 CA ILE 245 60.886 57.331 36.362 1.00 1.00 ATOM 120 CA ASN 246 58.974 56.695 33.105 1.00 1.00 ATOM 121 CA GLY 247 60.554 53.984 30.955 1.00 1.00 ATOM 127 CA LEU 248 58.981 49.289 23.897 1.00 1.00 ATOM 128 CA GLY 249 56.431 52.090 23.956 1.00 1.00 ATOM 129 CA MET 250 53.817 52.553 21.265 1.00 1.00 ATOM 130 CA LEU 251 53.556 48.756 21.022 1.00 1.00 ATOM 131 CA ILE 252 52.562 48.537 24.695 1.00 1.00 ATOM 132 CA TYR 253 49.861 51.187 24.347 1.00 1.00 ATOM 133 CA GLN 254 48.030 49.411 21.543 1.00 1.00 ATOM 134 CA GLY 255 48.559 45.844 22.718 1.00 1.00 ATOM 135 CA ALA 256 46.931 46.789 26.018 1.00 1.00 ATOM 136 CA VAL 257 44.210 48.901 24.382 1.00 1.00 ATOM 137 CA ALA 258 43.106 45.906 22.294 1.00 1.00 ATOM 138 CA PHE 259 43.412 43.319 25.056 1.00 1.00 ATOM 139 CA LYS 260 41.178 45.417 27.302 1.00 1.00 ATOM 140 CA ILE 261 38.641 45.935 24.501 1.00 1.00 ATOM 141 CA TRP 262 38.488 42.157 23.990 1.00 1.00 ATOM 398 CA THR 263 58.310 56.936 16.447 1.00 1.00 ATOM 399 CA GLY 264 60.891 56.663 19.243 1.00 1.00 ATOM 400 CA VAL 265 61.539 60.360 19.815 1.00 1.00 ATOM 401 CA GLU 266 58.018 61.761 19.775 1.00 1.00 ATOM 402 CA PRO 267 56.499 59.290 22.274 1.00 1.00 ATOM 403 CA ASN 268 59.445 60.053 24.548 1.00 1.00 ATOM 404 CA ILE 269 58.917 63.828 24.217 1.00 1.00 ATOM 405 CA GLU 270 55.232 63.452 24.982 1.00 1.00 ATOM 406 CA VAL 271 55.972 61.423 28.126 1.00 1.00 ATOM 407 CA MET 272 58.449 64.101 29.215 1.00 1.00 ATOM 408 CA LYS 273 55.783 66.781 28.865 1.00 1.00 ATOM 409 CA ASN 274 53.291 64.702 30.840 1.00 1.00 ATOM 410 CA ALA 275 55.641 64.038 33.743 1.00 1.00 ATOM 411 CA ILE 276 56.525 67.758 33.820 1.00 1.00 ATOM 412 CA ILE 277 52.898 68.965 33.875 1.00 1.00 ATOM 413 CA ASP 278 51.510 66.209 36.065 1.00 1.00 ATOM 414 CA LYS 279 49.571 64.213 33.495 1.00 1.00 ATOM 415 CA ILE 280 51.716 61.240 34.545 1.00 1.00 ATOM 416 CA THR 281 51.995 61.568 38.325 1.00 1.00 ATOM 417 CA LYS 282 52.591 58.052 39.634 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 15:20:30 2002 Date: Fri, 23 Aug 2002 15:20:24 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0191 TS samt99.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 23 14:52:20 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_663960_32541 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0191TS007_3 Current information on models submitted in prediction T0191TS007 MODEL_INDEX PIN CODE DATE E-mail T0191TS007_3 PIN_663960_32541 6269-7633-6117 08/23/02 14:52:20 casp5@bialko.llnl.gov T0191TS007_4 PIN_656058_32539 6269-7633-6117 08/23/02 14:51:41 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0191 MODEL_INDEX PIN CODE DATE E-mail T0191TS007_3 PIN_663960_32541 6269-7633-6117 08/23/02 14:52:20 casp5@bialko.llnl.gov T0191TS007_4 PIN_656058_32539 6269-7633-6117 08/23/02 14:51:41 casp5@bialko.llnl.gov T0191SS007_1 PIN_496094_28436 6269-7633-6117 08/19/02 21:36:15 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0191 AUTHOR 6269-7633-6117 # Reading MODEL 3 PARENT 1E5L_A # Loading PARENT structure: 1e5l (chain: A) # Number of residues in PARENT structure: 449 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue K 124 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue N 125 # IMPORTANT NOTE! Not complete main chain atoms for residue I 126 # IMPORTANT NOTE! Not complete main chain atoms for residue V 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 129 # IMPORTANT NOTE! Not complete main chain atoms for residue G 130 # IMPORTANT NOTE! Not complete main chain atoms for residue A 131 # IMPORTANT NOTE! Not complete main chain atoms for residue G 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue R 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue F 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue L 142 # IMPORTANT NOTE! Not complete main chain atoms for residue A 143 # IMPORTANT NOTE! Not complete main chain atoms for residue K 144 # IMPORTANT NOTE! Not complete main chain atoms for residue D 145 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue N 147 # IMPORTANT NOTE! Not complete main chain atoms for residue I 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue I 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue N 152 # IMPORTANT NOTE! Not complete main chain atoms for residue R 153 # IMPORTANT NOTE! Not complete main chain atoms for residue T 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 156 # IMPORTANT NOTE! Not complete main chain atoms for residue K 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue A 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue E 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue K 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue K 171 # IMPORTANT NOTE! Not complete main chain atoms for residue K 172 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue E 175 # IMPORTANT NOTE! Not complete main chain atoms for residue E 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue F 179 # IMPORTANT NOTE! Not complete main chain atoms for residue S 180 # IMPORTANT NOTE! Not complete main chain atoms for residue G 181 # IMPORTANT NOTE! Not complete main chain atoms for residue L 182 # IMPORTANT NOTE! Not complete main chain atoms for residue D 183 # IMPORTANT NOTE! Not complete main chain atoms for residue V 184 # IMPORTANT NOTE! Not complete main chain atoms for residue D 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue D 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue V 189 # IMPORTANT NOTE! Not complete main chain atoms for residue D 190 # IMPORTANT NOTE! Not complete main chain atoms for residue I 191 # IMPORTANT NOTE! Not complete main chain atoms for residue I 192 # IMPORTANT NOTE! Not complete main chain atoms for residue I 193 # IMPORTANT NOTE! Not complete main chain atoms for residue N 194 # IMPORTANT NOTE! Not complete main chain atoms for residue A 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue P 197 # IMPORTANT NOTE! Not complete main chain atoms for residue I 198 # IMPORTANT NOTE! Not complete main chain atoms for residue G 199 # IMPORTANT NOTE! Not complete main chain atoms for residue M 200 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 201 # IMPORTANT NOTE! Not complete main chain atoms for residue E 207 # IMPORTANT NOTE! Not complete main chain atoms for residue P 208 # IMPORTANT NOTE! Not complete main chain atoms for residue I 209 # IMPORTANT NOTE! Not complete main chain atoms for residue V 210 # IMPORTANT NOTE! Not complete main chain atoms for residue K 211 # IMPORTANT NOTE! Not complete main chain atoms for residue A 212 # IMPORTANT NOTE! Not complete main chain atoms for residue E 213 # IMPORTANT NOTE! Not complete main chain atoms for residue K 214 # IMPORTANT NOTE! Not complete main chain atoms for residue L 215 # IMPORTANT NOTE! Not complete main chain atoms for residue R 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue D 218 # IMPORTANT NOTE! Not complete main chain atoms for residue M 219 # IMPORTANT NOTE! Not complete main chain atoms for residue V 220 # IMPORTANT NOTE! Not complete main chain atoms for residue V 221 # IMPORTANT NOTE! Not complete main chain atoms for residue M 222 # IMPORTANT NOTE! Not complete main chain atoms for residue D 223 # IMPORTANT NOTE! Not complete main chain atoms for residue L 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 226 # IMPORTANT NOTE! Not complete main chain atoms for residue N 227 # IMPORTANT NOTE! Not complete main chain atoms for residue P 228 # IMPORTANT NOTE! Not complete main chain atoms for residue L 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue T 231 # IMPORTANT NOTE! Not complete main chain atoms for residue V 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue L 234 # IMPORTANT NOTE! Not complete main chain atoms for residue K 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue A 237 # IMPORTANT NOTE! Not complete main chain atoms for residue K 238 # IMPORTANT NOTE! Not complete main chain atoms for residue K 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue N 241 # IMPORTANT NOTE! Not complete main chain atoms for residue A 242 # IMPORTANT NOTE! Not complete main chain atoms for residue K 243 # IMPORTANT NOTE! Not complete main chain atoms for residue T 244 # IMPORTANT NOTE! Not complete main chain atoms for residue I 245 # IMPORTANT NOTE! Not complete main chain atoms for residue N 246 # IMPORTANT NOTE! Not complete main chain atoms for residue G 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue G 249 # IMPORTANT NOTE! Not complete main chain atoms for residue V 265 # IMPORTANT NOTE! Not complete main chain atoms for residue E 266 # IMPORTANT NOTE! Not complete main chain atoms for residue P 267 # IMPORTANT NOTE! Not complete main chain atoms for residue N 268 # IMPORTANT NOTE! Not complete main chain atoms for residue I 269 # IMPORTANT NOTE! Not complete main chain atoms for residue E 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue M 272 # IMPORTANT NOTE! Not complete main chain atoms for residue K 273 # IMPORTANT NOTE! Not complete main chain atoms for residue N 274 # IMPORTANT NOTE! Not complete main chain atoms for residue A 275 # IMPORTANT NOTE! Not complete main chain atoms for residue I 276 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0191 # Total number of residues in target: 282 # Total number of residues in model: 132 # Total number of atoms in model: 132 # Number of atoms with 1.0 occupancy: 132 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 132 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0191 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 3 PARENT 1E5L_A ATOM 4 CA LYS 124 26.092 59.743 151.760 1.00 1.00 ATOM 5 CA ASN 125 24.917 56.151 152.050 1.00 1.00 ATOM 6 CA ILE 126 23.469 53.610 149.654 1.00 1.00 ATOM 7 CA VAL 127 21.284 50.537 149.962 1.00 1.00 ATOM 8 CA ILE 128 22.622 47.845 147.618 1.00 1.00 ATOM 9 CA TYR 129 20.288 44.937 146.994 1.00 1.00 ATOM 10 CA GLY 130 23.152 42.600 146.077 1.00 1.00 ATOM 11 CA ALA 131 22.988 39.699 143.658 1.00 1.00 ATOM 12 CA GLY 132 26.477 38.324 143.139 1.00 1.00 ATOM 13 CA GLY 133 29.618 38.879 141.094 1.00 1.00 ATOM 14 CA ALA 134 28.770 42.249 139.551 1.00 1.00 ATOM 15 CA ALA 135 28.066 43.358 143.125 1.00 1.00 ATOM 16 CA ARG 136 31.711 43.459 144.197 1.00 1.00 ATOM 17 CA ALA 137 33.129 46.028 141.749 1.00 1.00 ATOM 18 CA VAL 138 30.193 48.298 142.510 1.00 1.00 ATOM 19 CA ALA 139 30.738 47.988 146.255 1.00 1.00 ATOM 20 CA PHE 140 34.499 48.506 145.998 1.00 1.00 ATOM 21 CA GLU 141 34.124 51.640 143.878 1.00 1.00 ATOM 22 CA LEU 142 31.470 53.257 146.012 1.00 1.00 ATOM 23 CA ALA 143 33.251 52.499 149.297 1.00 1.00 ATOM 24 CA LYS 144 36.651 53.536 147.881 1.00 1.00 ATOM 25 CA ASP 145 34.902 56.831 147.193 1.00 1.00 ATOM 26 CA ASN 146 33.913 57.310 150.826 1.00 1.00 ATOM 28 CA ASN 147 28.757 54.138 152.925 1.00 1.00 ATOM 29 CA ILE 148 27.084 51.026 151.547 1.00 1.00 ATOM 30 CA ILE 149 24.620 48.741 153.283 1.00 1.00 ATOM 31 CA ILE 150 24.775 45.375 151.478 1.00 1.00 ATOM 32 CA ALA 151 21.414 43.598 151.542 1.00 1.00 ATOM 33 CA ASN 152 20.980 39.989 150.365 1.00 1.00 ATOM 34 CA ARG 153 18.272 37.372 150.857 1.00 1.00 ATOM 35 CA THR 154 20.628 35.955 153.493 1.00 1.00 ATOM 36 CA VAL 155 22.748 37.898 155.979 1.00 1.00 ATOM 37 CA GLU 156 25.296 35.154 155.356 1.00 1.00 ATOM 38 CA LYS 157 25.953 36.025 151.703 1.00 1.00 ATOM 39 CA ALA 158 25.765 39.739 152.476 1.00 1.00 ATOM 40 CA GLU 159 28.547 39.392 155.032 1.00 1.00 ATOM 41 CA ALA 160 30.760 37.496 152.581 1.00 1.00 ATOM 42 CA LEU 161 30.591 40.393 150.106 1.00 1.00 ATOM 43 CA ALA 162 31.208 43.133 152.683 1.00 1.00 ATOM 44 CA LYS 163 33.955 41.075 154.329 1.00 1.00 ATOM 45 CA GLU 164 36.725 43.543 155.094 1.00 1.00 ATOM 46 CA ILE 165 35.294 46.162 152.733 1.00 1.00 ATOM 47 CA ALA 166 35.557 49.495 154.553 1.00 1.00 ATOM 48 CA GLU 167 32.316 51.425 155.085 1.00 1.00 ATOM 49 CA LYS 168 30.203 48.375 154.242 1.00 1.00 ATOM 50 CA LEU 169 27.321 47.084 156.359 1.00 1.00 ATOM 51 CA ASN 170 25.790 43.636 155.713 1.00 1.00 ATOM 52 CA LYS 171 22.114 43.017 156.424 1.00 1.00 ATOM 53 CA LYS 172 19.342 40.552 155.705 1.00 1.00 ATOM 54 CA GLY 174 16.336 42.007 153.874 1.00 1.00 ATOM 55 CA GLU 175 13.037 40.906 152.395 1.00 1.00 ATOM 56 CA GLU 176 12.500 43.107 149.344 1.00 1.00 ATOM 57 CA VAL 177 8.993 41.638 149.033 1.00 1.00 ATOM 58 CA LYS 178 8.109 43.311 152.328 1.00 1.00 ATOM 59 CA PHE 179 6.935 46.857 151.620 1.00 1.00 ATOM 60 CA SER 180 7.343 47.873 155.264 1.00 1.00 ATOM 61 CA GLY 181 10.790 46.355 155.809 1.00 1.00 ATOM 62 CA LEU 182 11.911 47.727 152.448 1.00 1.00 ATOM 63 CA ASP 183 10.547 51.249 153.035 1.00 1.00 ATOM 64 CA VAL 184 12.227 51.171 156.423 1.00 1.00 ATOM 65 CA ASP 185 15.687 50.374 155.081 1.00 1.00 ATOM 66 CA LEU 186 15.337 52.511 151.938 1.00 1.00 ATOM 67 CA ASP 187 14.587 55.519 154.151 1.00 1.00 ATOM 68 CA GLY 188 17.950 55.218 155.915 1.00 1.00 ATOM 69 CA VAL 189 19.960 55.971 152.776 1.00 1.00 ATOM 70 CA ASP 190 20.132 58.339 149.825 1.00 1.00 ATOM 71 CA ILE 191 19.869 55.862 146.976 1.00 1.00 ATOM 72 CA ILE 192 19.000 52.206 146.412 1.00 1.00 ATOM 73 CA ILE 193 20.840 50.065 143.861 1.00 1.00 ATOM 74 CA ASN 194 18.740 47.154 142.673 1.00 1.00 ATOM 75 CA ALA 195 21.063 44.490 141.332 1.00 1.00 ATOM 76 CA THR 196 18.505 41.733 141.910 1.00 1.00 ATOM 77 CA PRO 197 16.412 40.237 139.062 1.00 1.00 ATOM 78 CA ILE 198 14.577 42.874 136.976 1.00 1.00 ATOM 79 CA GLY 199 11.314 41.507 138.382 1.00 1.00 ATOM 80 CA MET 200 11.698 43.178 141.769 1.00 1.00 ATOM 81 CA TYR 201 12.471 46.517 140.136 1.00 1.00 ATOM 82 CA GLU 207 8.905 47.845 140.054 1.00 1.00 ATOM 83 CA PRO 208 8.608 46.790 143.696 1.00 1.00 ATOM 84 CA ILE 209 11.886 48.509 144.532 1.00 1.00 ATOM 85 CA VAL 210 11.051 51.701 142.649 1.00 1.00 ATOM 86 CA LYS 211 7.635 51.964 144.328 1.00 1.00 ATOM 87 CA ALA 212 9.391 51.943 147.674 1.00 1.00 ATOM 88 CA GLU 213 11.874 54.570 146.500 1.00 1.00 ATOM 89 CA LYS 214 8.951 56.782 145.498 1.00 1.00 ATOM 90 CA LEU 215 7.277 56.742 148.943 1.00 1.00 ATOM 91 CA ARG 216 10.601 57.439 150.654 1.00 1.00 ATOM 92 CA GLU 217 11.689 59.864 147.961 1.00 1.00 ATOM 93 CA ASP 218 15.036 58.164 147.453 1.00 1.00 ATOM 94 CA MET 219 17.032 57.728 144.254 1.00 1.00 ATOM 95 CA VAL 220 17.444 54.465 142.367 1.00 1.00 ATOM 96 CA VAL 221 19.918 52.858 139.993 1.00 1.00 ATOM 97 CA MET 222 19.648 49.572 138.120 1.00 1.00 ATOM 98 CA ASP 223 21.499 47.886 135.281 1.00 1.00 ATOM 99 CA LEU 224 18.298 46.503 133.822 1.00 1.00 ATOM 100 CA ILE 225 16.231 47.458 130.783 1.00 1.00 ATOM 101 CA TYR 226 13.451 49.961 131.402 1.00 1.00 ATOM 102 CA ASN 227 10.407 47.709 131.221 1.00 1.00 ATOM 103 CA PRO 228 6.829 48.953 130.715 1.00 1.00 ATOM 104 CA LEU 229 6.150 48.684 134.455 1.00 1.00 ATOM 105 CA GLU 230 9.159 50.887 135.268 1.00 1.00 ATOM 106 CA THR 231 8.192 53.479 132.665 1.00 1.00 ATOM 107 CA VAL 232 4.651 53.704 134.048 1.00 1.00 ATOM 108 CA LEU 233 6.275 55.028 137.222 1.00 1.00 ATOM 109 CA LEU 234 8.034 57.769 135.279 1.00 1.00 ATOM 110 CA LYS 235 5.618 60.505 136.349 1.00 1.00 ATOM 111 CA GLU 236 5.295 59.286 139.939 1.00 1.00 ATOM 112 CA ALA 237 9.103 59.226 140.143 1.00 1.00 ATOM 113 CA LYS 238 9.297 62.831 138.911 1.00 1.00 ATOM 114 CA LYS 239 6.576 63.915 141.327 1.00 1.00 ATOM 115 CA VAL 240 8.676 62.491 144.171 1.00 1.00 ATOM 116 CA ASN 241 11.724 64.315 142.861 1.00 1.00 ATOM 117 CA ALA 242 13.790 61.159 142.404 1.00 1.00 ATOM 118 CA LYS 243 16.140 59.962 139.668 1.00 1.00 ATOM 119 CA THR 244 15.695 56.343 138.604 1.00 1.00 ATOM 120 CA ILE 245 18.749 55.586 136.437 1.00 1.00 ATOM 121 CA ASN 246 18.612 52.263 134.588 1.00 1.00 ATOM 122 CA GLY 247 20.389 50.416 131.761 1.00 1.00 ATOM 123 CA LEU 248 23.796 51.550 132.967 1.00 1.00 ATOM 124 CA GLY 249 25.980 48.450 133.136 1.00 1.00 ATOM 125 CA VAL 265 27.676 46.735 130.181 1.00 1.00 ATOM 126 CA GLU 266 24.817 45.955 127.838 1.00 1.00 ATOM 127 CA PRO 267 22.519 47.675 128.415 1.00 1.00 ATOM 128 CA ASN 268 25.036 50.326 129.385 1.00 1.00 ATOM 129 CA ILE 269 28.424 50.927 127.830 1.00 1.00 ATOM 130 CA GLU 270 26.969 49.838 124.511 1.00 1.00 ATOM 131 CA VAL 271 24.333 52.596 124.558 1.00 1.00 ATOM 132 CA MET 272 26.965 55.211 125.310 1.00 1.00 ATOM 133 CA LYS 273 29.222 54.378 122.359 1.00 1.00 ATOM 134 CA ASN 274 26.416 53.660 119.936 1.00 1.00 ATOM 135 CA ALA 275 24.795 57.039 120.564 1.00 1.00 ATOM 136 CA ILE 276 28.174 58.793 120.652 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 15:20:08 2002 Date: Fri, 23 Aug 2002 15:20:03 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0191 TS samt99.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 23 14:51:41 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_656058_32539 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0191TS007_4 Current information on models submitted in prediction T0191TS007 MODEL_INDEX PIN CODE DATE E-mail T0191TS007_4 PIN_656058_32539 6269-7633-6117 08/23/02 14:51:41 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0191 MODEL_INDEX PIN CODE DATE E-mail T0191TS007_4 PIN_656058_32539 6269-7633-6117 08/23/02 14:51:41 casp5@bialko.llnl.gov T0191SS007_1 PIN_496094_28436 6269-7633-6117 08/19/02 21:36:15 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0191 AUTHOR 6269-7633-6117 # Reading MODEL 4 PARENT 1E5L_B # Loading PARENT structure: 1e5l (chain: B) # Number of residues in PARENT structure: 449 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue K 124 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue N 125 # IMPORTANT NOTE! Not complete main chain atoms for residue I 126 # IMPORTANT NOTE! Not complete main chain atoms for residue V 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 129 # IMPORTANT NOTE! Not complete main chain atoms for residue G 130 # IMPORTANT NOTE! Not complete main chain atoms for residue A 131 # IMPORTANT NOTE! Not complete main chain atoms for residue G 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue R 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue F 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue L 142 # IMPORTANT NOTE! Not complete main chain atoms for residue A 143 # IMPORTANT NOTE! Not complete main chain atoms for residue K 144 # IMPORTANT NOTE! Not complete main chain atoms for residue D 145 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue N 147 # IMPORTANT NOTE! Not complete main chain atoms for residue I 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue I 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue N 152 # IMPORTANT NOTE! Not complete main chain atoms for residue R 153 # IMPORTANT NOTE! Not complete main chain atoms for residue T 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 156 # IMPORTANT NOTE! Not complete main chain atoms for residue K 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue A 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue E 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue K 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue K 171 # IMPORTANT NOTE! Not complete main chain atoms for residue K 172 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue E 175 # IMPORTANT NOTE! Not complete main chain atoms for residue E 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue F 179 # IMPORTANT NOTE! Not complete main chain atoms for residue S 180 # IMPORTANT NOTE! Not complete main chain atoms for residue G 181 # IMPORTANT NOTE! Not complete main chain atoms for residue L 182 # IMPORTANT NOTE! Not complete main chain atoms for residue D 183 # IMPORTANT NOTE! Not complete main chain atoms for residue V 184 # IMPORTANT NOTE! Not complete main chain atoms for residue D 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue D 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue V 189 # IMPORTANT NOTE! Not complete main chain atoms for residue D 190 # IMPORTANT NOTE! Not complete main chain atoms for residue I 191 # IMPORTANT NOTE! Not complete main chain atoms for residue I 192 # IMPORTANT NOTE! Not complete main chain atoms for residue I 193 # IMPORTANT NOTE! Not complete main chain atoms for residue N 194 # IMPORTANT NOTE! Not complete main chain atoms for residue A 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue P 197 # IMPORTANT NOTE! Not complete main chain atoms for residue I 198 # IMPORTANT NOTE! Not complete main chain atoms for residue G 199 # IMPORTANT NOTE! Not complete main chain atoms for residue M 200 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 201 # IMPORTANT NOTE! Not complete main chain atoms for residue E 207 # IMPORTANT NOTE! Not complete main chain atoms for residue P 208 # IMPORTANT NOTE! Not complete main chain atoms for residue I 209 # IMPORTANT NOTE! Not complete main chain atoms for residue V 210 # IMPORTANT NOTE! Not complete main chain atoms for residue K 211 # IMPORTANT NOTE! Not complete main chain atoms for residue A 212 # IMPORTANT NOTE! Not complete main chain atoms for residue E 213 # IMPORTANT NOTE! Not complete main chain atoms for residue K 214 # IMPORTANT NOTE! Not complete main chain atoms for residue L 215 # IMPORTANT NOTE! Not complete main chain atoms for residue R 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue D 218 # IMPORTANT NOTE! Not complete main chain atoms for residue M 219 # IMPORTANT NOTE! Not complete main chain atoms for residue V 220 # IMPORTANT NOTE! Not complete main chain atoms for residue V 221 # IMPORTANT NOTE! Not complete main chain atoms for residue M 222 # IMPORTANT NOTE! Not complete main chain atoms for residue D 223 # IMPORTANT NOTE! Not complete main chain atoms for residue L 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 226 # IMPORTANT NOTE! Not complete main chain atoms for residue N 227 # IMPORTANT NOTE! Not complete main chain atoms for residue P 228 # IMPORTANT NOTE! Not complete main chain atoms for residue L 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue T 231 # IMPORTANT NOTE! Not complete main chain atoms for residue V 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue L 234 # IMPORTANT NOTE! Not complete main chain atoms for residue K 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue A 237 # IMPORTANT NOTE! Not complete main chain atoms for residue K 238 # IMPORTANT NOTE! Not complete main chain atoms for residue K 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue N 241 # IMPORTANT NOTE! Not complete main chain atoms for residue A 242 # IMPORTANT NOTE! Not complete main chain atoms for residue K 243 # IMPORTANT NOTE! Not complete main chain atoms for residue T 244 # IMPORTANT NOTE! Not complete main chain atoms for residue I 245 # IMPORTANT NOTE! Not complete main chain atoms for residue N 246 # IMPORTANT NOTE! Not complete main chain atoms for residue G 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue G 249 # IMPORTANT NOTE! Not complete main chain atoms for residue V 265 # IMPORTANT NOTE! Not complete main chain atoms for residue E 266 # IMPORTANT NOTE! Not complete main chain atoms for residue P 267 # IMPORTANT NOTE! Not complete main chain atoms for residue N 268 # IMPORTANT NOTE! Not complete main chain atoms for residue I 269 # IMPORTANT NOTE! Not complete main chain atoms for residue E 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue M 272 # IMPORTANT NOTE! Not complete main chain atoms for residue K 273 # IMPORTANT NOTE! Not complete main chain atoms for residue N 274 # IMPORTANT NOTE! Not complete main chain atoms for residue A 275 # IMPORTANT NOTE! Not complete main chain atoms for residue I 276 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0191 # Total number of residues in target: 282 # Total number of residues in model: 132 # Total number of atoms in model: 132 # Number of atoms with 1.0 occupancy: 132 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 132 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0191 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 4 PARENT 1E5L_B ATOM 4 CA LYS 124 81.360 27.777 132.739 1.00 1.00 ATOM 5 CA ASN 125 81.023 30.582 130.202 1.00 1.00 ATOM 6 CA ILE 126 78.897 30.617 127.064 1.00 1.00 ATOM 7 CA VAL 127 78.990 32.357 123.701 1.00 1.00 ATOM 8 CA ILE 128 75.507 33.365 122.604 1.00 1.00 ATOM 9 CA TYR 129 74.986 34.320 118.976 1.00 1.00 ATOM 10 CA GLY 130 71.959 36.431 119.846 1.00 1.00 ATOM 11 CA ALA 131 69.021 36.910 117.518 1.00 1.00 ATOM 12 CA GLY 132 66.226 39.275 118.511 1.00 1.00 ATOM 13 CA GLY 133 63.644 38.428 121.160 1.00 1.00 ATOM 14 CA ALA 134 64.679 34.851 121.978 1.00 1.00 ATOM 15 CA ALA 135 67.979 36.224 123.310 1.00 1.00 ATOM 16 CA ARG 136 66.691 37.796 126.540 1.00 1.00 ATOM 17 CA ALA 137 64.929 34.702 127.908 1.00 1.00 ATOM 18 CA VAL 138 67.845 32.357 127.194 1.00 1.00 ATOM 19 CA ALA 139 70.280 34.861 128.695 1.00 1.00 ATOM 20 CA PHE 140 68.178 35.289 131.835 1.00 1.00 ATOM 21 CA GLU 141 68.002 31.539 132.464 1.00 1.00 ATOM 22 CA LEU 142 71.712 31.031 131.840 1.00 1.00 ATOM 23 CA ALA 143 72.918 34.003 133.891 1.00 1.00 ATOM 24 CA LYS 144 70.643 32.941 136.758 1.00 1.00 ATOM 25 CA ASP 145 72.198 29.463 136.859 1.00 1.00 ATOM 26 CA ASN 146 75.576 31.042 137.542 1.00 1.00 ATOM 28 CA ASN 147 78.860 33.608 132.363 1.00 1.00 ATOM 29 CA ILE 148 77.314 34.679 129.068 1.00 1.00 ATOM 30 CA ILE 149 78.850 36.880 126.387 1.00 1.00 ATOM 31 CA ILE 150 76.082 38.191 124.121 1.00 1.00 ATOM 32 CA ALA 151 77.274 38.801 120.567 1.00 1.00 ATOM 33 CA ASN 152 75.454 40.850 117.928 1.00 1.00 ATOM 34 CA ARG 153 76.766 42.432 114.740 1.00 1.00 ATOM 35 CA THR 154 76.298 45.683 116.671 1.00 1.00 ATOM 36 CA VAL 155 77.717 46.464 120.113 1.00 1.00 ATOM 37 CA GLU 156 74.823 48.723 121.086 1.00 1.00 ATOM 38 CA LYS 157 72.475 45.915 120.067 1.00 1.00 ATOM 39 CA ALA 158 74.232 43.519 122.439 1.00 1.00 ATOM 40 CA GLU 159 74.326 46.070 125.258 1.00 1.00 ATOM 41 CA ALA 160 70.601 46.873 125.243 1.00 1.00 ATOM 42 CA LEU 161 70.043 43.139 124.909 1.00 1.00 ATOM 43 CA ALA 162 72.230 42.292 127.913 1.00 1.00 ATOM 44 CA LYS 163 71.224 45.070 130.312 1.00 1.00 ATOM 45 CA GLU 164 69.585 44.172 133.615 1.00 1.00 ATOM 46 CA ILE 165 71.357 40.821 133.922 1.00 1.00 ATOM 47 CA ALA 166 74.443 39.909 135.925 1.00 1.00 ATOM 48 CA GLU 167 77.423 38.035 134.424 1.00 1.00 ATOM 49 CA LYS 168 76.641 39.483 130.986 1.00 1.00 ATOM 50 CA LEU 169 79.361 40.614 128.565 1.00 1.00 ATOM 51 CA ASN 170 78.180 42.251 125.307 1.00 1.00 ATOM 52 CA LYS 171 80.467 42.492 122.269 1.00 1.00 ATOM 53 CA LYS 172 80.452 43.205 118.527 1.00 1.00 ATOM 54 CA GLY 174 80.975 40.237 116.226 1.00 1.00 ATOM 55 CA GLU 175 80.563 39.284 112.592 1.00 1.00 ATOM 56 CA GLU 176 79.549 35.637 112.366 1.00 1.00 ATOM 57 CA VAL 177 80.170 35.797 108.629 1.00 1.00 ATOM 58 CA LYS 178 83.827 36.232 109.585 1.00 1.00 ATOM 59 CA PHE 179 85.622 32.893 110.063 1.00 1.00 ATOM 60 CA SER 180 88.670 34.034 112.050 1.00 1.00 ATOM 61 CA GLY 181 86.647 36.492 114.142 1.00 1.00 ATOM 62 CA LEU 182 84.148 33.827 115.197 1.00 1.00 ATOM 63 CA ASP 183 86.617 30.942 115.425 1.00 1.00 ATOM 64 CA VAL 184 88.638 33.160 117.780 1.00 1.00 ATOM 65 CA ASP 185 85.689 33.981 120.030 1.00 1.00 ATOM 66 CA LEU 186 84.466 30.363 120.251 1.00 1.00 ATOM 67 CA ASP 187 87.709 29.201 121.906 1.00 1.00 ATOM 68 CA GLY 188 87.193 31.782 124.670 1.00 1.00 ATOM 69 CA VAL 189 84.155 29.863 125.980 1.00 1.00 ATOM 70 CA ASP 190 82.876 26.352 126.686 1.00 1.00 ATOM 71 CA ILE 191 79.856 26.253 124.384 1.00 1.00 ATOM 72 CA ILE 192 78.289 28.140 121.477 1.00 1.00 ATOM 73 CA ILE 193 74.554 28.767 121.289 1.00 1.00 ATOM 74 CA ASN 194 73.258 29.753 117.896 1.00 1.00 ATOM 75 CA ALA 195 69.779 31.233 117.767 1.00 1.00 ATOM 76 CA THR 196 70.393 32.292 114.170 1.00 1.00 ATOM 77 CA PRO 197 68.382 30.292 111.613 1.00 1.00 ATOM 78 CA ILE 198 70.955 27.749 110.476 1.00 1.00 ATOM 79 CA GLY 199 72.123 28.028 106.865 1.00 1.00 ATOM 80 CA MET 200 74.128 25.721 104.596 1.00 1.00 ATOM 81 CA TYR 201 76.807 28.396 104.993 1.00 1.00 ATOM 82 CA GLU 207 77.252 28.271 108.753 1.00 1.00 ATOM 83 CA PRO 208 80.694 28.123 110.285 1.00 1.00 ATOM 84 CA ILE 209 79.132 27.961 113.736 1.00 1.00 ATOM 85 CA VAL 210 79.312 24.184 114.113 1.00 1.00 ATOM 86 CA LYS 211 82.476 23.692 112.038 1.00 1.00 ATOM 87 CA ALA 212 84.103 26.300 114.261 1.00 1.00 ATOM 88 CA GLU 213 82.992 24.476 117.425 1.00 1.00 ATOM 89 CA LYS 214 84.500 21.290 116.018 1.00 1.00 ATOM 90 CA LEU 215 87.813 22.980 115.294 1.00 1.00 ATOM 91 CA ARG 216 87.813 24.427 118.825 1.00 1.00 ATOM 92 CA GLU 217 86.464 21.262 120.429 1.00 1.00 ATOM 93 CA ASP 218 83.623 23.310 121.934 1.00 1.00 ATOM 94 CA MET 219 79.972 22.357 122.475 1.00 1.00 ATOM 95 CA VAL 220 77.006 23.734 120.544 1.00 1.00 ATOM 96 CA VAL 221 73.287 24.290 121.005 1.00 1.00 ATOM 97 CA MET 222 70.940 25.454 118.266 1.00 1.00 ATOM 98 CA ASP 223 67.201 25.668 117.750 1.00 1.00 ATOM 99 CA LEU 224 67.599 24.597 114.126 1.00 1.00 ATOM 100 CA ILE 225 66.560 21.366 112.390 1.00 1.00 ATOM 101 CA TYR 226 69.301 18.803 111.820 1.00 1.00 ATOM 102 CA ASN 227 69.983 19.031 108.062 1.00 1.00 ATOM 103 CA PRO 228 71.944 16.571 105.869 1.00 1.00 ATOM 104 CA LEU 229 74.654 19.202 105.601 1.00 1.00 ATOM 105 CA GLU 230 74.781 19.357 109.402 1.00 1.00 ATOM 106 CA THR 231 74.675 15.563 109.716 1.00 1.00 ATOM 107 CA VAL 232 77.843 15.258 107.629 1.00 1.00 ATOM 108 CA LEU 233 79.695 17.010 110.448 1.00 1.00 ATOM 109 CA LEU 234 78.523 14.386 112.961 1.00 1.00 ATOM 110 CA LYS 235 81.651 12.190 112.846 1.00 1.00 ATOM 111 CA GLU 236 84.112 15.088 113.170 1.00 1.00 ATOM 112 CA ALA 237 82.054 16.439 116.081 1.00 1.00 ATOM 113 CA LYS 238 82.335 13.056 117.783 1.00 1.00 ATOM 114 CA LYS 239 86.064 12.882 117.043 1.00 1.00 ATOM 115 CA VAL 240 86.325 16.303 118.634 1.00 1.00 ATOM 116 CA ASN 241 84.325 14.982 121.584 1.00 1.00 ATOM 117 CA ALA 242 81.743 17.745 121.341 1.00 1.00 ATOM 118 CA LYS 243 77.976 17.679 121.647 1.00 1.00 ATOM 119 CA THR 244 75.922 19.540 119.053 1.00 1.00 ATOM 120 CA ILE 245 72.386 19.651 120.453 1.00 1.00 ATOM 121 CA ASN 246 69.789 20.939 118.018 1.00 1.00 ATOM 122 CA GLY 247 66.034 21.036 117.489 1.00 1.00 ATOM 123 CA LEU 248 65.378 22.175 121.030 1.00 1.00 ATOM 124 CA GLY 249 63.318 25.353 120.853 1.00 1.00 ATOM 125 CA VAL 265 59.527 25.393 120.637 1.00 1.00 ATOM 126 CA GLU 266 59.133 23.604 117.292 1.00 1.00 ATOM 127 CA PRO 267 61.373 21.831 116.724 1.00 1.00 ATOM 128 CA ASN 268 61.834 21.403 120.448 1.00 1.00 ATOM 129 CA ILE 269 59.054 21.151 122.993 1.00 1.00 ATOM 130 CA GLU 270 56.926 19.512 120.316 1.00 1.00 ATOM 131 CA VAL 271 59.330 16.547 119.900 1.00 1.00 ATOM 132 CA MET 272 59.437 15.953 123.643 1.00 1.00 ATOM 133 CA LYS 273 55.679 15.576 123.989 1.00 1.00 ATOM 134 CA ASN 274 55.107 13.807 120.704 1.00 1.00 ATOM 135 CA ALA 275 57.583 11.097 121.654 1.00 1.00 ATOM 136 CA ILE 276 56.362 10.929 125.261 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Fri Aug 23 15:25:18 2002 Date: Fri, 23 Aug 2002 15:25:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0191 TS samt99.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Fri Aug 23 14:57:17 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_713673_32554 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0191TS007_5 Current information on models submitted in prediction T0191TS007 MODEL_INDEX PIN CODE DATE E-mail T0191TS007_5 PIN_713673_32554 6269-7633-6117 08/23/02 14:57:17 casp5@bialko.llnl.gov T0191TS007_2 PIN_677667_32544 6269-7633-6117 08/23/02 14:53:49 casp5@bialko.llnl.gov T0191TS007_1 PIN_680893_32543 6269-7633-6117 08/23/02 14:53:27 casp5@bialko.llnl.gov T0191TS007_3 PIN_663960_32541 6269-7633-6117 08/23/02 14:52:20 casp5@bialko.llnl.gov T0191TS007_4 PIN_656058_32539 6269-7633-6117 08/23/02 14:51:41 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0191 MODEL_INDEX PIN CODE DATE E-mail T0191TS007_1 PIN_680893_32543 6269-7633-6117 08/23/02 14:53:27 casp5@bialko.llnl.gov T0191TS007_2 PIN_677667_32544 6269-7633-6117 08/23/02 14:53:49 casp5@bialko.llnl.gov T0191TS007_3 PIN_663960_32541 6269-7633-6117 08/23/02 14:52:20 casp5@bialko.llnl.gov T0191TS007_4 PIN_656058_32539 6269-7633-6117 08/23/02 14:51:41 casp5@bialko.llnl.gov T0191TS007_5 PIN_713673_32554 6269-7633-6117 08/23/02 14:57:17 casp5@bialko.llnl.gov T0191SS007_1 PIN_496094_28436 6269-7633-6117 08/19/02 21:36:15 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0191 AUTHOR 6269-7633-6117 # Reading MODEL 5 PARENT 1E5Q_A # Loading PARENT structure: 1e5q (chain: A) # Number of residues in PARENT structure: 449 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue K 124 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue N 125 # IMPORTANT NOTE! Not complete main chain atoms for residue I 126 # IMPORTANT NOTE! Not complete main chain atoms for residue V 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 129 # IMPORTANT NOTE! Not complete main chain atoms for residue G 130 # IMPORTANT NOTE! Not complete main chain atoms for residue A 131 # IMPORTANT NOTE! Not complete main chain atoms for residue G 132 # IMPORTANT NOTE! Not complete main chain atoms for residue G 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue A 135 # IMPORTANT NOTE! Not complete main chain atoms for residue R 136 # IMPORTANT NOTE! Not complete main chain atoms for residue A 137 # IMPORTANT NOTE! Not complete main chain atoms for residue V 138 # IMPORTANT NOTE! Not complete main chain atoms for residue A 139 # IMPORTANT NOTE! Not complete main chain atoms for residue F 140 # IMPORTANT NOTE! Not complete main chain atoms for residue E 141 # IMPORTANT NOTE! Not complete main chain atoms for residue L 142 # IMPORTANT NOTE! Not complete main chain atoms for residue A 143 # IMPORTANT NOTE! Not complete main chain atoms for residue K 144 # IMPORTANT NOTE! Not complete main chain atoms for residue D 145 # IMPORTANT NOTE! Not complete main chain atoms for residue N 146 # IMPORTANT NOTE! Not complete main chain atoms for residue N 147 # IMPORTANT NOTE! Not complete main chain atoms for residue I 148 # IMPORTANT NOTE! Not complete main chain atoms for residue I 149 # IMPORTANT NOTE! Not complete main chain atoms for residue I 150 # IMPORTANT NOTE! Not complete main chain atoms for residue A 151 # IMPORTANT NOTE! Not complete main chain atoms for residue N 152 # IMPORTANT NOTE! Not complete main chain atoms for residue R 153 # IMPORTANT NOTE! Not complete main chain atoms for residue T 154 # IMPORTANT NOTE! Not complete main chain atoms for residue V 155 # IMPORTANT NOTE! Not complete main chain atoms for residue E 156 # IMPORTANT NOTE! Not complete main chain atoms for residue K 157 # IMPORTANT NOTE! Not complete main chain atoms for residue A 158 # IMPORTANT NOTE! Not complete main chain atoms for residue E 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue A 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue E 164 # IMPORTANT NOTE! Not complete main chain atoms for residue I 165 # IMPORTANT NOTE! Not complete main chain atoms for residue A 166 # IMPORTANT NOTE! Not complete main chain atoms for residue E 167 # IMPORTANT NOTE! Not complete main chain atoms for residue K 168 # IMPORTANT NOTE! Not complete main chain atoms for residue L 169 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue K 171 # IMPORTANT NOTE! Not complete main chain atoms for residue K 172 # IMPORTANT NOTE! Not complete main chain atoms for residue G 174 # IMPORTANT NOTE! Not complete main chain atoms for residue E 175 # IMPORTANT NOTE! Not complete main chain atoms for residue E 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue K 178 # IMPORTANT NOTE! Not complete main chain atoms for residue F 179 # IMPORTANT NOTE! Not complete main chain atoms for residue S 180 # IMPORTANT NOTE! Not complete main chain atoms for residue G 181 # IMPORTANT NOTE! Not complete main chain atoms for residue L 182 # IMPORTANT NOTE! Not complete main chain atoms for residue D 183 # IMPORTANT NOTE! Not complete main chain atoms for residue V 184 # IMPORTANT NOTE! Not complete main chain atoms for residue D 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue D 187 # IMPORTANT NOTE! Not complete main chain atoms for residue G 188 # IMPORTANT NOTE! Not complete main chain atoms for residue V 189 # IMPORTANT NOTE! Not complete main chain atoms for residue D 190 # IMPORTANT NOTE! Not complete main chain atoms for residue I 191 # IMPORTANT NOTE! Not complete main chain atoms for residue I 192 # IMPORTANT NOTE! Not complete main chain atoms for residue I 193 # IMPORTANT NOTE! Not complete main chain atoms for residue N 194 # IMPORTANT NOTE! Not complete main chain atoms for residue A 195 # IMPORTANT NOTE! Not complete main chain atoms for residue T 196 # IMPORTANT NOTE! Not complete main chain atoms for residue P 197 # IMPORTANT NOTE! Not complete main chain atoms for residue I 198 # IMPORTANT NOTE! Not complete main chain atoms for residue G 199 # IMPORTANT NOTE! Not complete main chain atoms for residue M 200 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 201 # IMPORTANT NOTE! Not complete main chain atoms for residue E 207 # IMPORTANT NOTE! Not complete main chain atoms for residue P 208 # IMPORTANT NOTE! Not complete main chain atoms for residue I 209 # IMPORTANT NOTE! Not complete main chain atoms for residue V 210 # IMPORTANT NOTE! Not complete main chain atoms for residue K 211 # IMPORTANT NOTE! Not complete main chain atoms for residue A 212 # IMPORTANT NOTE! Not complete main chain atoms for residue E 213 # IMPORTANT NOTE! Not complete main chain atoms for residue K 214 # IMPORTANT NOTE! Not complete main chain atoms for residue L 215 # IMPORTANT NOTE! Not complete main chain atoms for residue R 216 # IMPORTANT NOTE! Not complete main chain atoms for residue E 217 # IMPORTANT NOTE! Not complete main chain atoms for residue D 218 # IMPORTANT NOTE! Not complete main chain atoms for residue M 219 # IMPORTANT NOTE! Not complete main chain atoms for residue V 220 # IMPORTANT NOTE! Not complete main chain atoms for residue V 221 # IMPORTANT NOTE! Not complete main chain atoms for residue M 222 # IMPORTANT NOTE! Not complete main chain atoms for residue D 223 # IMPORTANT NOTE! Not complete main chain atoms for residue L 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 226 # IMPORTANT NOTE! Not complete main chain atoms for residue N 227 # IMPORTANT NOTE! Not complete main chain atoms for residue P 228 # IMPORTANT NOTE! Not complete main chain atoms for residue L 229 # IMPORTANT NOTE! Not complete main chain atoms for residue E 230 # IMPORTANT NOTE! Not complete main chain atoms for residue T 231 # IMPORTANT NOTE! Not complete main chain atoms for residue V 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue L 234 # IMPORTANT NOTE! Not complete main chain atoms for residue K 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue A 237 # IMPORTANT NOTE! Not complete main chain atoms for residue K 238 # IMPORTANT NOTE! Not complete main chain atoms for residue K 239 # IMPORTANT NOTE! Not complete main chain atoms for residue V 240 # IMPORTANT NOTE! Not complete main chain atoms for residue N 241 # IMPORTANT NOTE! Not complete main chain atoms for residue A 242 # IMPORTANT NOTE! Not complete main chain atoms for residue K 243 # IMPORTANT NOTE! Not complete main chain atoms for residue T 244 # IMPORTANT NOTE! Not complete main chain atoms for residue I 245 # IMPORTANT NOTE! Not complete main chain atoms for residue N 246 # IMPORTANT NOTE! Not complete main chain atoms for residue G 247 # IMPORTANT NOTE! Not complete main chain atoms for residue L 248 # IMPORTANT NOTE! Not complete main chain atoms for residue G 249 # IMPORTANT NOTE! Not complete main chain atoms for residue V 265 # IMPORTANT NOTE! Not complete main chain atoms for residue E 266 # IMPORTANT NOTE! Not complete main chain atoms for residue P 267 # IMPORTANT NOTE! Not complete main chain atoms for residue N 268 # IMPORTANT NOTE! Not complete main chain atoms for residue I 269 # IMPORTANT NOTE! Not complete main chain atoms for residue E 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue M 272 # IMPORTANT NOTE! Not complete main chain atoms for residue K 273 # IMPORTANT NOTE! Not complete main chain atoms for residue N 274 # IMPORTANT NOTE! Not complete main chain atoms for residue A 275 # IMPORTANT NOTE! Not complete main chain atoms for residue I 276 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0191 # Total number of residues in target: 282 # Total number of residues in model: 132 # Total number of atoms in model: 132 # Number of atoms with 1.0 occupancy: 132 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 132 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0191 AUTHOR 6269-7633-6117 METHOD CAFASP MODEL 5 PARENT 1E5Q_A ATOM 4 CA LYS 124 52.420 25.842 65.616 1.00 1.00 ATOM 5 CA ASN 125 51.873 28.926 67.762 1.00 1.00 ATOM 6 CA ILE 126 49.448 31.795 67.217 1.00 1.00 ATOM 7 CA VAL 127 49.190 35.251 68.738 1.00 1.00 ATOM 8 CA ILE 128 45.524 36.147 69.047 1.00 1.00 ATOM 9 CA TYR 129 45.125 39.879 69.496 1.00 1.00 ATOM 10 CA GLY 130 41.762 40.427 71.171 1.00 1.00 ATOM 11 CA ALA 131 39.497 38.548 73.581 1.00 1.00 ATOM 12 CA GLY 132 36.175 40.086 72.591 1.00 1.00 ATOM 13 CA GLY 133 32.888 38.842 71.130 1.00 1.00 ATOM 14 CA ALA 134 34.140 36.745 68.220 1.00 1.00 ATOM 15 CA ALA 135 37.255 35.241 69.829 1.00 1.00 ATOM 16 CA ARG 136 36.136 32.141 71.745 1.00 1.00 ATOM 17 CA ALA 137 35.283 30.079 68.637 1.00 1.00 ATOM 18 CA VAL 138 38.644 30.934 67.090 1.00 1.00 ATOM 19 CA ALA 139 40.503 29.994 70.278 1.00 1.00 ATOM 20 CA PHE 140 38.520 26.753 70.527 1.00 1.00 ATOM 21 CA GLU 141 39.106 25.633 66.946 1.00 1.00 ATOM 22 CA LEU 142 42.829 26.388 67.086 1.00 1.00 ATOM 23 CA ALA 143 43.543 24.807 70.469 1.00 1.00 ATOM 24 CA LYS 144 41.348 21.833 69.491 1.00 1.00 ATOM 25 CA ASP 145 43.868 21.386 66.662 1.00 1.00 ATOM 26 CA ASN 146 46.808 21.327 69.070 1.00 1.00 ATOM 28 CA ASN 147 49.186 26.951 70.916 1.00 1.00 ATOM 29 CA ILE 148 47.438 30.287 71.300 1.00 1.00 ATOM 30 CA ILE 149 48.539 33.343 73.225 1.00 1.00 ATOM 31 CA ILE 150 45.472 35.466 73.981 1.00 1.00 ATOM 32 CA ALA 151 46.437 39.128 74.192 1.00 1.00 ATOM 33 CA ASN 152 44.668 42.426 74.834 1.00 1.00 ATOM 34 CA ARG 153 45.211 45.376 77.175 1.00 1.00 ATOM 35 CA THR 154 43.103 43.992 80.038 1.00 1.00 ATOM 36 CA VAL 155 44.808 40.857 81.365 1.00 1.00 ATOM 37 CA GLU 156 41.618 39.801 83.137 1.00 1.00 ATOM 38 CA LYS 157 39.695 39.745 79.848 1.00 1.00 ATOM 39 CA ALA 158 42.386 37.564 78.270 1.00 1.00 ATOM 40 CA GLU 159 42.350 35.227 81.288 1.00 1.00 ATOM 41 CA ALA 160 38.575 34.907 81.250 1.00 1.00 ATOM 42 CA LEU 161 38.602 33.872 77.589 1.00 1.00 ATOM 43 CA ALA 162 41.373 31.293 77.996 1.00 1.00 ATOM 44 CA LYS 163 40.373 29.929 81.415 1.00 1.00 ATOM 45 CA GLU 164 40.253 26.138 81.212 1.00 1.00 ATOM 46 CA ILE 165 41.284 26.109 77.554 1.00 1.00 ATOM 47 CA ALA 166 44.175 23.761 76.824 1.00 1.00 ATOM 48 CA GLU 167 47.213 25.214 75.008 1.00 1.00 ATOM 49 CA LYS 168 46.211 28.829 75.712 1.00 1.00 ATOM 50 CA LEU 169 48.201 31.569 77.458 1.00 1.00 ATOM 51 CA ASN 170 46.717 34.931 78.498 1.00 1.00 ATOM 52 CA LYS 171 48.819 38.112 78.497 1.00 1.00 ATOM 53 CA LYS 172 48.399 41.877 78.587 1.00 1.00 ATOM 54 CA GLY 174 49.545 43.620 75.423 1.00 1.00 ATOM 55 CA GLU 175 48.768 47.002 73.887 1.00 1.00 ATOM 56 CA GLU 176 49.271 46.980 70.096 1.00 1.00 ATOM 57 CA VAL 177 50.200 50.669 70.367 1.00 1.00 ATOM 58 CA LYS 178 53.509 49.593 71.961 1.00 1.00 ATOM 59 CA PHE 179 55.684 48.801 68.944 1.00 1.00 ATOM 60 CA SER 180 58.541 47.279 70.939 1.00 1.00 ATOM 61 CA GLY 181 56.223 45.086 72.994 1.00 1.00 ATOM 62 CA LEU 182 54.227 44.027 69.920 1.00 1.00 ATOM 63 CA ASP 183 57.301 43.016 67.915 1.00 1.00 ATOM 64 CA VAL 184 58.759 40.972 70.763 1.00 1.00 ATOM 65 CA ASP 185 55.549 38.972 71.149 1.00 1.00 ATOM 66 CA LEU 186 54.886 38.594 67.415 1.00 1.00 ATOM 67 CA ASP 187 58.391 37.171 66.986 1.00 1.00 ATOM 68 CA GLY 188 57.404 34.319 69.320 1.00 1.00 ATOM 69 CA VAL 189 54.629 33.010 67.072 1.00 1.00 ATOM 70 CA ASP 190 54.057 31.796 63.523 1.00 1.00 ATOM 71 CA ILE 191 51.119 34.118 62.848 1.00 1.00 ATOM 72 CA ILE 192 49.069 36.927 64.353 1.00 1.00 ATOM 73 CA ILE 193 45.274 37.195 64.322 1.00 1.00 ATOM 74 CA ASN 194 44.076 40.792 64.618 1.00 1.00 ATOM 75 CA ALA 195 40.654 40.496 66.265 1.00 1.00 ATOM 76 CA THR 196 40.726 44.062 67.534 1.00 1.00 ATOM 77 CA PRO 197 39.341 47.396 66.217 1.00 1.00 ATOM 78 CA ILE 198 40.248 47.585 62.536 1.00 1.00 ATOM 79 CA GLY 199 41.927 50.940 63.092 1.00 1.00 ATOM 80 CA MET 200 44.907 48.901 64.375 1.00 1.00 ATOM 81 CA TYR 201 45.355 46.510 61.437 1.00 1.00 ATOM 82 CA GLU 207 47.954 48.622 59.606 1.00 1.00 ATOM 83 CA PRO 208 50.068 48.761 62.777 1.00 1.00 ATOM 84 CA ILE 209 49.756 45.011 63.297 1.00 1.00 ATOM 85 CA VAL 210 50.744 44.332 59.687 1.00 1.00 ATOM 86 CA LYS 211 53.835 46.565 59.959 1.00 1.00 ATOM 87 CA ALA 212 54.951 44.582 63.022 1.00 1.00 ATOM 88 CA GLU 213 54.287 41.285 61.229 1.00 1.00 ATOM 89 CA LYS 214 56.257 42.562 58.253 1.00 1.00 ATOM 90 CA LEU 215 59.381 43.344 60.253 1.00 1.00 ATOM 91 CA ARG 216 59.055 40.075 62.176 1.00 1.00 ATOM 92 CA GLU 217 58.251 38.129 58.995 1.00 1.00 ATOM 93 CA ASP 218 55.104 36.566 60.484 1.00 1.00 ATOM 94 CA MET 219 51.727 35.875 58.872 1.00 1.00 ATOM 95 CA VAL 220 48.506 37.750 59.649 1.00 1.00 ATOM 96 CA VAL 221 44.785 37.019 59.647 1.00 1.00 ATOM 97 CA MET 222 41.881 39.411 60.175 1.00 1.00 ATOM 98 CA ASP 223 38.123 39.314 59.605 1.00 1.00 ATOM 99 CA LEU 224 38.192 42.945 58.482 1.00 1.00 ATOM 100 CA ILE 225 37.923 44.745 55.168 1.00 1.00 ATOM 101 CA TYR 226 41.110 45.379 53.245 1.00 1.00 ATOM 102 CA ASN 227 41.367 49.160 53.660 1.00 1.00 ATOM 103 CA PRO 228 43.599 51.392 51.513 1.00 1.00 ATOM 104 CA LEU 229 46.008 51.642 54.453 1.00 1.00 ATOM 105 CA GLU 230 46.316 47.856 54.527 1.00 1.00 ATOM 106 CA THR 231 46.556 47.439 50.758 1.00 1.00 ATOM 107 CA VAL 232 49.458 49.921 50.663 1.00 1.00 ATOM 108 CA LEU 233 51.478 47.350 52.613 1.00 1.00 ATOM 109 CA LEU 234 50.874 44.651 50.005 1.00 1.00 ATOM 110 CA LYS 235 54.297 44.744 48.363 1.00 1.00 ATOM 111 CA GLU 236 56.145 45.131 51.667 1.00 1.00 ATOM 112 CA ALA 237 54.244 42.083 52.911 1.00 1.00 ATOM 113 CA LYS 238 55.210 40.132 49.801 1.00 1.00 ATOM 114 CA LYS 239 58.863 41.184 50.215 1.00 1.00 ATOM 115 CA VAL 240 58.765 39.865 53.773 1.00 1.00 ATOM 116 CA ASN 241 57.284 36.647 52.411 1.00 1.00 ATOM 117 CA ALA 242 54.209 36.824 54.627 1.00 1.00 ATOM 118 CA LYS 243 50.513 36.240 54.003 1.00 1.00 ATOM 119 CA THR 244 48.000 38.786 55.316 1.00 1.00 ATOM 120 CA ILE 245 44.605 37.079 54.916 1.00 1.00 ATOM 121 CA ASN 246 41.602 39.343 55.460 1.00 1.00 ATOM 122 CA GLY 247 37.826 39.569 55.089 1.00 1.00 ATOM 123 CA LEU 248 37.284 36.009 56.263 1.00 1.00 ATOM 124 CA GLY 249 34.621 36.389 58.939 1.00 1.00 ATOM 125 CA VAL 265 30.847 36.464 58.240 1.00 1.00 ATOM 126 CA GLU 266 30.420 39.737 56.352 1.00 1.00 ATOM 127 CA PRO 267 33.015 40.236 54.990 1.00 1.00 ATOM 128 CA ASN 268 33.870 36.556 54.695 1.00 1.00 ATOM 129 CA ILE 269 31.271 33.825 54.163 1.00 1.00 ATOM 130 CA GLU 270 29.268 36.204 51.977 1.00 1.00 ATOM 131 CA VAL 271 32.212 36.484 49.560 1.00 1.00 ATOM 132 CA MET 272 32.626 32.699 49.435 1.00 1.00 ATOM 133 CA LYS 273 29.082 31.960 48.350 1.00 1.00 ATOM 134 CA ASN 274 28.638 35.018 46.142 1.00 1.00 ATOM 135 CA ALA 275 31.663 33.946 44.089 1.00 1.00 ATOM 136 CA ILE 276 30.627 30.303 44.120 1.00 1.00 TER END ################################ # # # END # # # ################################